6-Chloro-2-methylpyrimidin-4-amine

HCID 286754CAS 1749-68-4

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc(N)cc(Cl)n1
InChIKey: SSAYHQQUDKQNAC-UHFFFAOYSA-N
Molecular formula: C5H6ClN3
Average molar mass: 143.57 g/mol
Monoisotopic mass: 143.0250249

Names & identifiers

Preferred name: 6-Chloro-2-methylpyrimidin-4-amine
IUPAC: 6-chloro-2-methylpyrimidin-4-amine
English name: 4-Amino-6-chloro-2-methylpyrimidine
Molecular formula: C5H6ClN3
Molecular weight: 143.57

Names & synonyms

6-chloro-2-methylpyrimidin-4-amineRefChem:541563810-576-21749-68-44-Amino-6-chloro-2-methylpyrimidine6-Chloro-2-methyl-4-pyrimidinamine4-Pyrimidinamine, 6-chloro-2-methyl-MFCD077820296-chloro-2-methyl-pyrimidin-4-ylamine(6-Chloro-2-methylpyrimidin-4-yl)amine2-METHYL-4-CHLORO-6-AMINOPYRIMIDINE6-chloro-2-methyl-pyrimidin-4-amine

Show more names

ASISCHEM D488744-Ami-6-chloro-2-methylpyrimidine2-Methyl-6-chloropyrimidine-4-amine4-PYRIMIDINAMINE,6-CHLORO-2-METHYL-4-AMINO-6-CHLORO-2-METHYLPYRIMIDINE, 95+%

NSC145903SCHEMBL115697SCHEMBL28848771DTXSID10301691SSAYHQQUDKQNAC-UHFFFAOYSA-N2-methyl-4-amino-6-chloropyrimidine6-chloro-2-methyl-4-aminopyrimidineSBB086307

Database identifiers

CAS: 1749-68-4
PubChem CID: 286754
DTXSID: DTXSID10301691
EC Number: 810-576-2
Nikkaji: J27.929C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 98

Physicochemical properties

Melting point: 189 °C · 189 °C
Boiling point: 269.2 · 269.2±20.0 °C(Predicted)
Density: 1.349 · 1.349±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 3.57 · 3.57±0.10(Predicted)
color: White
InChI: InChI=1S/C5H6ClN3/c1-3-8-4(6)2-5(7)9-3/h2H,1H3,(H2,7,8,9)
InChIKey: SSAYHQQUDKQNAC-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=CC(N)=N1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

Safety data

hs_code: 2933599590
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

4-AMINO-6-HYDROXY-2-METHYLPYRIMIDINE 2-Amino-6-methyl-4-pyrimidinol Ammonia Methanol 4,6-Dichloro-2-methylpyrimidine 4,6-Dihydroxy-2-methylpyrimidine

Downstream products

4-Pyrimidinamine, 2-methyl- (9CI)Pyrimidine, 4-amino-2-methyl-6-(methylamino)- (6CI,8CI)4,6-Pyrimidinediamine, N4-ethyl-2-methyl-4-Pyrimidinamine, 6-methoxy-2-methyl- (9CI)

Suppliers50 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]

Related reactions

39 records

New reaction record

HRID 69946 reaction equation

HRID 69946As reactantuspto-grants-2014_09

HRID 90759 reaction equation

HRID 90759As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 154306 reaction equation

HRID 154306As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 359684 reaction equation

HRID 359684As productuspto-grants-1991_03

HRID 575523 reaction equation

HRID 575523As productuspto-grants-2015_05

HRID 575524 reaction equation

HRID 575524As reactantuspto-grants-2015_05

HRID 626785 reaction equation

HRID 626785As reactantuspto-grants-2016_04

HRID 668003 reaction equation

HRID 668003As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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