N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C18H24N4 — CID 112885068

IUPACN-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1CNc1nccc(N2CCC(C)CC2)n1
InChIInChI=1S/C18H24N4/c1-14-8-11-22(12-9-14)17-7-10-19-18(21-17)20-13-16-6-4-3-5-15(16)2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,19,20,21)
InChIKeySLJQRSXMXSOHAR-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112885068) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112885068
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1CNc1nccc(N2CCC(C)CC2)n1
InChIInChI=1S/C18H24N4/c1-14-8-11-22(12-9-14)17-7-10-19-18(21-17)20-13-16-6-4-3-5-15(16)2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,19,20,21)
InChIKeySLJQRSXMXSOHAR-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
CID 83949753
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
1-[6-methyl-2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194099
N-[(2-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910692
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885157

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112885068) is N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1ccccc1CNc1nccc(N2CCC(C)CC2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is SLJQRSXMXSOHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-8-11-22(12-9-14)17-7-10-19-18(21-17)20-13-16-6-4-3-5-15(16)2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112885068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).