4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine

C11H10ClN3O — CID 24743460

IUPAC4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C11H10ClN3O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyQMRKTLQGAWYADU-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.39
Rot. Bonds2

About 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine

4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 24743460) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID24743460
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C11H10ClN3O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyQMRKTLQGAWYADU-UHFFFAOYSA-N
XLogP2.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine (CID 24743460) is 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is QMRKTLQGAWYADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine?
4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 24743460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).