6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine

C12H11Cl2N3O — CID 62480912

IUPAC6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(Cl)nc(C)n2)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-15-11(14)6-12(16-7)17-8-3-4-10(18-2)9(13)5-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeySQCCXYYREJRFCC-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.84
Rot. Bonds3

About 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine

6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 62480912) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID62480912
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(Cl)nc(C)n2)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-15-11(14)6-12(16-7)17-8-3-4-10(18-2)9(13)5-8/h3-6H,1-2H3,(H,15,16,17)
InChIKeySQCCXYYREJRFCC-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878205
4-N-(3-chloro-4-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868147
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
3-[[6-(3-chloro-4-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878212
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872728
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872842
4-N-(4-chloro-3-methoxyphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 107623619
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine (CID 62480912) is 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine is COc1ccc(Nc2cc(Cl)nc(C)n2)cc1Cl.
What is the InChIKey of 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is SQCCXYYREJRFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-15-11(14)6-12(16-7)17-8-3-4-10(18-2)9(13)5-8/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine?
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 284.15 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62480912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).