6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine

C12H12ClN3O — CID 115504339

IUPAC6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H12ClN3O/c1-7-3-4-8(5-9(7)13)10-11(17-2)12(14)16-6-15-10/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyCSCZUIDXUSCKEP-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.70
Rot. Bonds2

About 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine

6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine (PubChem CID 115504339) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
PubChem CID115504339
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
SMILESCOc1c(N)ncnc1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H12ClN3O/c1-7-3-4-8(5-9(7)13)10-11(17-2)12(14)16-6-15-10/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyCSCZUIDXUSCKEP-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline
CID 107607763
5-methoxy-6-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-amine
CID 106681516
5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine
CID 83171115
6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine
CID 79711613
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 82298713
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253
6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
CID 82794447
6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 115504286
6-(3-chloro-4-methylphenyl)-9-propan-2-ylpurine
CID 139188676
1-(3-chloro-4-methylphenyl)-7,8-dimethoxy-3H-pyrazolo[3,4-c]quinoline
CID 68631932
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine (CID 115504339) is 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine is COc1c(N)ncnc1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine?
The InChIKey is CSCZUIDXUSCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-3-4-8(5-9(7)13)10-11(17-2)12(14)16-6-15-10/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine?
6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 115504339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).