6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine

C12H11Cl2N3O — CID 55079735

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

About 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine

6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 55079735) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID55079735
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(Cl)c(Nc2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C12H11Cl2N3O/c1-7-15-11(14)6-12(16-7)17-10-5-8(18-2)3-4-9(10)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyBZDOZNJFDVPOCR-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

6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953244
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80814732
4-N-(2-chloro-5-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80791950
4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791494
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 86045530
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
4-chloro-3-N-(6-ethoxy-2-methylpyrimidin-4-yl)benzene-1,3-diamine
CID 66333720
2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
CID 43166932
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine (CID 55079735) is 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine is COc1ccc(Cl)c(Nc2cc(Cl)nc(C)n2)c1.
What is the InChIKey of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is BZDOZNJFDVPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-15-11(14)6-12(16-7)17-10-5-8(18-2)3-4-9(10)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine?
6-chloro-N-(2-chloro-5-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-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 55079735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).