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

C23H26N4 — CID 112876447

IUPAC6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H26N4/c1-18-24-22(26-21-10-6-3-7-11-21)17-23(25-18)27-14-12-20(13-15-27)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3,(H,24,25,26)
InChIKeyHBCZGLYFFNTRGA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.99
Rot. Bonds5

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

6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine (PubChem CID 112876447) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
PubChem CID112876447
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)cc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H26N4/c1-18-24-22(26-21-10-6-3-7-11-21)17-23(25-18)27-14-12-20(13-15-27)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3,(H,24,25,26)
InChIKeyHBCZGLYFFNTRGA-UHFFFAOYSA-N
XLogP4.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Revaprazan
CID 204104
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Revaprazan Hydrochloride
CID 204103

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine (CID 112876447) is 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine is Cc1nc(Nc2ccccc2)cc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is HBCZGLYFFNTRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-18-24-22(26-21-10-6-3-7-11-21)17-23(25-18)27-14-12-20(13-15-27)16-19-8-4-2-5-9-19/h2-11,17,20H,12-16H2,1H3,(H,24,25,26).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine?
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 358.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112876447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).