4,5-Diaminopyrimidine

HCID 83703CAS 13754-19-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cncnc1N
InChIKey
PPAULTVPKLVLII-UHFFFAOYSA-N
Molecular formula
C4H6N4
Average molar mass
110.12 g/mol
Monoisotopic mass
110.05924619

Names & identifiers

Preferred name
4,5-Diaminopyrimidine
IUPAC
pyrimidine-4,5-diamine
English name
4,5-Diaminopyrimidine
Molecular formula
C4H6N4
Molecular weight
110.12

Names & synonyms

4,5-Diaminopyrimidine13754-19-34,5-PyrimidinediaminePyrimidine, 4,5-diamino-IL00Z9WFM8UNII-IL00Z9WFM8NSC 143485,6-diaminopyrimidineEINECS 237-339-0NSC-14348AI3-52093DTXSID40160233
Show more names
EOS-61203TIMTEC-BB SBB0043354,5-DIAMIOPYRIMIDINEpyriMidin-4,5-diaMine4,5-Diaminopyrimidiine4,5-Diaminopyrimidine>4,5-DIAMINOPYRIMIDINE 98%
4,5-Pyrimidinediamine (9CI)RefChem:96432DTXCID1082724Pyrimidine, 4,5-diamino-(8CI)237-339-0PPAULTVPKLVLII-UHFFFAOYSA-NPyrimidine-4,5-diamineMFCD00006113

Database identifiers

CAS
13754-19-3
PubChem CID
83703
DTXSID
DTXSID40160233
UNII
IL00Z9WFM8
EC Number
237-339-0
Nikkaji
J81.681G

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
77.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
204 · 204-206 °C(lit.)
Boiling point
229 °C32 · 229 °C32 mm Hg(lit.)
Density
1.2105 · 1.2105 (rough estimate)
refractive index
1.738 · 1.7380 (estimate)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29335995
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses4,5-Diaminopyrimidine is an intermediate in the synthesis of Nisin, a compound that was first introduced as a good preservative and was later on discovered to have antibacterial activity against gram positive bacteria. 4,5-Diaminopyrimidine is also used as a reagent to synthesize uracil-based 2-aminoanilide derivatives, compounds that act as histone deacetylase inhibitors.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

41 records
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Linked notes

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