4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile

C24H25N5 — CID 112925851

IUPAC4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCc1cc(Nc2ccc(C#N)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H25N5/c1-18-15-23(27-22-9-7-21(17-25)8-10-22)28-24(26-18)29-13-11-20(12-14-29)16-19-5-3-2-4-6-19/h2-10,15,20H,11-14,16H2,1H3,(H,26,27,28)
InChIKeyNBCWNDAHRZOYEA-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.86
Rot. Bonds5

About 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile

4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112925851) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112925851
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCc1cc(Nc2ccc(C#N)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H25N5/c1-18-15-23(27-22-9-7-21(17-25)8-10-22)28-24(26-18)29-13-11-20(12-14-29)16-19-5-3-2-4-6-19/h2-10,15,20H,11-14,16H2,1H3,(H,26,27,28)
InChIKeyNBCWNDAHRZOYEA-UHFFFAOYSA-N
XLogP4.86
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile 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

2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 112925846
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-propan-2-ylpyrimidin-4-amine
CID 112907146
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
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
3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112909594
3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327
4-[(6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112934337
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
tert-butyl 4-[4-(4-cyanoanilino)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 122624151

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile (CID 112925851) is 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile is Cc1cc(Nc2ccc(C#N)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is NBCWNDAHRZOYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-18-15-23(27-22-9-7-21(17-25)8-10-22)28-24(26-18)29-13-11-20(12-14-29)16-19-5-3-2-4-6-19/h2-10,15,20H,11-14,16H2,1H3,(H,26,27,28).
What are the key properties of 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile?
4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 383.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112925851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).