4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine

C19H19ClN4O — CID 142769145

IUPAC4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ncc(Cc2ccnc(N(C)C)n2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-24(2)19-21-8-7-16(23-19)9-13-10-17(18(25-3)22-12-13)14-5-4-6-15(20)11-14/h4-8,10-12H,9H2,1-3H3
InChIKeyHPTCMHZRQCWIMZ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.86
Rot. Bonds5

About 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine

4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 142769145) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID142769145
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ncc(Cc2ccnc(N(C)C)n2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O/c1-24(2)19-21-8-7-16(23-19)9-13-10-17(18(25-3)22-12-13)14-5-4-6-15(20)11-14/h4-8,10-12H,9H2,1-3H3
InChIKeyHPTCMHZRQCWIMZ-UHFFFAOYSA-N
XLogP3.86
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-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-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine (CID 142769145) is 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine is COc1ncc(Cc2ccnc(N(C)C)n2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is HPTCMHZRQCWIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-24(2)19-21-8-7-16(23-19)9-13-10-17(18(25-3)22-12-13)14-5-4-6-15(20)11-14/h4-8,10-12H,9H2,1-3H3.
What are the key properties of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine?
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 354.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 142769145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).