N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C18H24N4 — CID 112856426

IUPACN-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(N3CCC(C)CC3)ncn2)c1
InChIInChI=1S/C18H24N4/c1-13-6-8-22(9-7-13)18-11-17(19-12-20-18)21-16-10-14(2)4-5-15(16)3/h4-5,10-13H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyWPYBPYNZNMPGMD-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.07
Rot. Bonds3

About N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856426) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856426
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(N3CCC(C)CC3)ncn2)c1
InChIInChI=1S/C18H24N4/c1-13-6-8-22(9-7-13)18-11-17(19-12-20-18)21-16-10-14(2)4-5-15(16)3/h4-5,10-13H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyWPYBPYNZNMPGMD-UHFFFAOYSA-N
XLogP4.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2,5-dimethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192758
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856447
4-N,4-N-diethyl-2-methyl-1-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112856510
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
N-(5-fluoro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282467
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856432

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856426) is N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1ccc(C)c(Nc2cc(N3CCC(C)CC3)ncn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is WPYBPYNZNMPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-6-8-22(9-7-13)18-11-17(19-12-20-18)21-16-10-14(2)4-5-15(16)3/h4-5,10-13H,6-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).