4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine

C12H11Cl2N3O — CID 86045530

IUPAC4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(C)c(Nc2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C12H11Cl2N3O/c1-7-3-4-8(18-2)5-9(7)15-12-16-10(13)6-11(14)17-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyATZMBMGWQFQFHS-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.84
Rot. Bonds3

About 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine

4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine (PubChem CID 86045530) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
PubChem CID86045530
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(C)c(Nc2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C12H11Cl2N3O/c1-7-3-4-8(18-2)5-9(7)15-12-16-10(13)6-11(14)17-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyATZMBMGWQFQFHS-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

Analyze 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 88571005
2-N-(5-methoxy-2-methylphenyl)-6-methylpyridine-2,3-diamine
CID 114252576
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329355
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 114252987
4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 54402398
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80804494
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930022
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine (CID 86045530) is 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine is COc1ccc(C)c(Nc2nc(Cl)cc(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine?
The InChIKey is ATZMBMGWQFQFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-3-4-8(18-2)5-9(7)15-12-16-10(13)6-11(14)17-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine?
4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-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 4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 86045530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).