N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C17H21ClN4 — CID 112864416

IUPACN-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCCC(C)C3)ncn2)cc1Cl
InChIInChI=1S/C17H21ClN4/c1-12-4-3-7-22(10-12)17-9-16(19-11-20-17)21-14-6-5-13(2)15(18)8-14/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20,21)
InChIKeyVCUZYELWAYCRCH-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.42
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112864416) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112864416
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCCC(C)C3)ncn2)cc1Cl
InChIInChI=1S/C17H21ClN4/c1-12-4-3-7-22(10-12)17-9-16(19-11-20-17)21-14-6-5-13(2)15(18)8-14/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20,21)
InChIKeyVCUZYELWAYCRCH-UHFFFAOYSA-N
XLogP4.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280
1-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192759

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112864416) is N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1ccc(Nc2cc(N3CCCC(C)C3)ncn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is VCUZYELWAYCRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12-4-3-7-22(10-12)17-9-16(19-11-20-17)21-14-6-5-13(2)15(18)8-14/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112864416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).