N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C18H24N4 — CID 112856432

IUPACN-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)cc1
InChIInChI=1S/C18H24N4/c1-3-15-4-6-16(7-5-15)21-17-12-18(20-13-19-17)22-10-8-14(2)9-11-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyHJIBFARNACTHAU-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.02
Rot. Bonds4

About N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856432) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856432
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)cc1
InChIInChI=1S/C18H24N4/c1-3-15-4-6-16(7-5-15)21-17-12-18(20-13-19-17)22-10-8-14(2)9-11-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyHJIBFARNACTHAU-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968434
N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856426
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-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856432) is N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is CCc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is HJIBFARNACTHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-15-4-6-16(7-5-15)21-17-12-18(20-13-19-17)22-10-8-14(2)9-11-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).