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

C17H21ClN4 — CID 112856447

IUPACN-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1cc(N2CCC(C)CC2)ncn1
InChIInChI=1S/C17H21ClN4/c1-12-5-7-22(8-6-12)17-10-16(19-11-20-17)21-15-4-3-14(18)9-13(15)2/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyNDLGCKHVTSMESF-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.42
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856447) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856447
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1cc(N2CCC(C)CC2)ncn1
InChIInChI=1S/C17H21ClN4/c1-12-5-7-22(8-6-12)17-10-16(19-11-20-17)21-15-4-3-14(18)9-13(15)2/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyNDLGCKHVTSMESF-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

4-N,4-N-diethyl-2-methyl-1-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112856510
N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856426
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856432
methyl 2-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112856472
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
CID 90546264
1-[4-[6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858448

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856447) is N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1cc(Cl)ccc1Nc1cc(N2CCC(C)CC2)ncn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is NDLGCKHVTSMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-12-5-7-22(8-6-12)17-10-16(19-11-20-17)21-15-4-3-14(18)9-13(15)2/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(4-chloro-2-methylphenyl)-6-(4-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-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).