2-Amino-4,6-dimethyl pyrimidine

HCID 13021CAS 767-15-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)nc(N)n1
InChIKey
IDQNBVFPZMCDDN-UHFFFAOYSA-N
Molecular formula
C6H9N3
Average molar mass
123.16 g/mol
Monoisotopic mass
123.07964729

Overview

2-Amino-4,6-dimethylpyrimidine is an aminopyrimidine.

Names & identifiers

Preferred name
2-Amino-4,6-dimethyl pyrimidine
IUPAC
4,6-dimethylpyrimidin-2-amine
English name
2-Amino-4,6-dimethylpyrimidine
Molecular formula
C6H9N3
Molecular weight
123.16

Names & synonyms

2-amino-4,6-dimethyl pyrimidineRefChem:4640222-ADMP2-AMINO-4,6-DIMETHYLPYRIMIDINE767-15-74,6-dimethylpyrimidin-2-amine4,6-Dimethyl-2-pyrimidinamineAcetylacetoneguanidine2-Pyrimidinamine, 4,6-dimethyl-4,6-dimethyl-2-aminopyrimidinePyrimidine, 2-amino-4,6-dimethyl-4,6-Dimethylpyrimidin-2-ylamine
Show more names
ADLPinx-993AKOS MSC-0099TIMTEC-BB SBB0042752-Amino-4,6-dimethyl6-diMethylpyriMidinecetylacetoneguanidine
NSC 3278MFCD000061022-Amine-4,6-dimethylpyrimidine4,6-Dimethyl-pyrimidin-2-ylamineCHEMBL45468362-amino-4,6-dimethyl-pyrimidine4S48MI253MNSC-3278

Database identifiers

CAS
767-15-7
PubChem CID
13021
DTXSID
DTXSID8052510
ChEMBL
CHEMBL4546836
ChEBI
CHEBI:181699
UNII
4S48MI253M
EC Number
212-181-5
Nikkaji
J96E

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Collision Cross Section123.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8052510]

Physicochemical properties

Melting point
151 · 151-153 °C (lit.)
Boiling point
219.27 °C · 219.27°C (rough estimate)
Density
1.1097 · 1.1097 (rough estimate)
refractive index
1.5589 · 1.5589 (estimate)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2-Pyrimidinamine, 4,6-dimethyl-
Hazard Classes and CategoriesAcute Tox. 4 (86.7%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
UV6260496
hs_code
29335995
risk_code
22-36/37/38

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Transformation products

General Manufacturing Information2-Pyrimidinamine, 4,6-dimethyl-: ACTIVE

Applications

Uses2-Amino-4,6-dimethylpyrimidine is a bioactive compound.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: 2-Amino-4,6-dimethylpyrimidine is an aminopyrimidine.

Related reactions

481 records
New reaction record

Linked notes

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