2,4-Diaminopyrimidine-5-carbonitrile

HCID 282115

Basic information

CAS
16462-27-4
Standard SMILES
N#Cc1cnc(N)nc1N
InChIKey
OYUQCQCQLDTRHQ-UHFFFAOYSA-N
Molecular formula
C5H5N5
Average molar mass
135.13 g/mol
Monoisotopic mass
135.05449518

Names & identifiers

Preferred name
2,4-Diaminopyrimidine-5-carbonitrile
IUPAC
2,4-diaminopyrimidine-5-carbonitrile
English name
2,4-Diaminopyrimidine-5-carbonitrile
Molecular formula
C5H5N5
Molecular weight
135.13

Names & synonyms

2,4-Diaminopyrimidine-5-carbonitrile16462-27-4DTXSID60300179RefChem:82285DTXCID60251314813-877-72,4-Diamino-5-cyanopyrimidine2,4-Diamino-pyrimidine-5-carbonitrileMFCD000856005-Pyrimidinecarbonitrile, 2,4-diamino-NSC 1352352,4-diamino-5-pyrimidine carbonitrile
Show more names
2,4-DIAMINO-5-CYANO-PYRIMIDINE2,4-Diaminopyrimidine-5-carbonitriL2,4-Diaminopyrimidine-5-carbonitrile ,97%5-Pyrimidinecarbonitrile, 2,4-diamino- (6CI,8CI,9CI)2,4-DIAMINOPYRIMIDINE-5-CARBONITRILE ISO 9001:2015 REACH
2,4-Diamino-5-cyanopyrimidine; 2,4-Diamino-5-pyrimidinecarbonitrile; NSC 135235;2,4-diamino-5-pyrimidinecarbonitrileNSC135235SCHEMBL263835SCHEMBL17330922pyrimidine, 2,4-diamino-5-cyano-SBB012809STK785133

Database identifiers

CAS
16462-27-4
PubChem CID
282115
DTXSID
DTXSID60300179
EC Number
813-877-7

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
318 °C · 318 °C (decomp)
Boiling point
498.2 · 498.2±55.0 °C(Predicted)
Density
1.45 · 1.45±0.1 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Sealed in dry,2-8°C
solubility
DMF (Slightly, Heated), DMSO (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (50%);Acute Tox. 4 (50%);Acute Tox. 3 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 3 (50%);Acute Tox. 4 (50%);STOT SE 3 (100%)

Safety data

hs_code
29335990
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H317-H319
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

Uses2,4-Diaminopyrimidine-5-carbonitrile is used as an intermediate for the preparation of medicines and agrochemicals (1).

UsesIntermediate for the preparation of medicines and agrochemicals.

Suppliers76 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

4 records

Compound notes

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