4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C17H21ClN4O — CID 88570930

IUPAC4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)cc(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C17H21ClN4O/c1-12-7-9-22(10-8-12)16-11-15(18)20-17(21-16)19-13-3-5-14(23-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyVPZQQQXQLUDRIC-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.12
Rot. Bonds4

About 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine

4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 88570930) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID88570930
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)cc(N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C17H21ClN4O/c1-12-7-9-22(10-8-12)16-11-15(18)20-17(21-16)19-13-3-5-14(23-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyVPZQQQXQLUDRIC-UHFFFAOYSA-N
XLogP4.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
N-(2,5-dimethoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910799
methyl 4-[[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112910811
2-N-(4-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904779
N-(3,5-dichlorophenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910843
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
CID 167225907
N-(5-chloro-2-methoxyphenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910788
6-[3-[1-[4-chloro-6-(4-methoxyanilino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrrolidin-1-yl]-4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 123366306
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 88570930) is 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is COc1ccc(Nc2nc(Cl)cc(N3CCC(C)CC3)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is VPZQQQXQLUDRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-7-9-22(10-8-12)16-11-15(18)20-17(21-16)19-13-3-5-14(23-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 332.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 88570930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).