N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

C16H19ClN4 — CID 112868891

IUPACN-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Cl)cc(N2CCCCC2)n1
InChIInChI=1S/C16H19ClN4/c1-12-18-15(20-14-8-4-3-7-13(14)17)11-16(19-12)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyYINONCCZBLFDEF-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.17
Rot. Bonds3

About N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112868891) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112868891
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Cl)cc(N2CCCCC2)n1
InChIInChI=1S/C16H19ClN4/c1-12-18-15(20-14-8-4-3-7-13(14)17)11-16(19-12)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyYINONCCZBLFDEF-UHFFFAOYSA-N
XLogP4.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921
N-(3-chloro-2-methylphenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875544
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868961
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)-2-methylpyrimidin-4-amine
CID 112876827
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112868891) is N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is Cc1nc(Nc2ccccc2Cl)cc(N2CCCCC2)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is YINONCCZBLFDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-18-15(20-14-8-4-3-7-13(14)17)11-16(19-12)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 302.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).