N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

C17H21ClN4 — CID 112910263

IUPACN-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H21ClN4/c1-12-6-7-14(11-15(12)18)20-16-10-13(2)19-17(21-16)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyXAUNJSAULNLHOV-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.48
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112910263) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112910263
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H21ClN4/c1-12-6-7-14(11-15(12)18)20-16-10-13(2)19-17(21-16)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyXAUNJSAULNLHOV-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
N-(3-bromophenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910303
2-(azepan-1-yl)-N-(3-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112926743
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
1-[4-[4-(3,4-dichloroanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915095
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924034
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922275
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
N-(3-bromo-4-methylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914058

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine (CID 112910263) is N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine is Cc1cc(Nc2ccc(C)c(Cl)c2)nc(N2CCCCC2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is XAUNJSAULNLHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12-6-7-14(11-15(12)18)20-16-10-13(2)19-17(21-16)22-8-4-3-5-9-22/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 4.48, 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-methyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112910263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).