2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine

C20H28N4 — CID 112907146

IUPAC2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)C)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H28N4/c1-15(2)21-19-13-16(3)22-20(23-19)24-11-9-18(10-12-24)14-17-7-5-4-6-8-17/h4-8,13,15,18H,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyAWHXUIISYMZIOB-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine

2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 112907146) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID112907146
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)C)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H28N4/c1-15(2)21-19-13-16(3)22-20(23-19)24-11-9-18(10-12-24)14-17-7-5-4-6-8-17/h4-8,13,15,18H,9-12,14H2,1-3H3,(H,21,22,23)
InChIKeyAWHXUIISYMZIOB-UHFFFAOYSA-N
XLogP4.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-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

N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852
2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 112916109
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 112925846
4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112925851
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
N-butan-2-yl-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112908851
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
6-[(1-amino-3-oxopropan-2-yl)amino]-2-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 90390203
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine (CID 112907146) is 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine is Cc1cc(NC(C)C)nc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is AWHXUIISYMZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15(2)21-19-13-16(3)22-20(23-19)24-11-9-18(10-12-24)14-17-7-5-4-6-8-17/h4-8,13,15,18H,9-12,14H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine?
2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 112907146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).