N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine

C24H28N4 — CID 112915514

IUPACN-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2ccccc2)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H28N4/c1-19-16-23(25-18-22-10-6-3-7-11-22)27-24(26-19)28-14-12-21(13-15-28)17-20-8-4-2-5-9-20/h2-11,16,21H,12-15,17-18H2,1H3,(H,25,26,27)
InChIKeyYXKPXGCEKLOPLE-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.86
Rot. Bonds6

About N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine

N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112915514) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112915514
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC NameN-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2ccccc2)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C24H28N4/c1-19-16-23(25-18-22-10-6-3-7-11-22)27-24(26-19)28-14-12-21(13-15-28)17-20-8-4-2-5-9-20/h2-11,16,21H,12-15,17-18H2,1H3,(H,25,26,27)
InChIKeyYXKPXGCEKLOPLE-UHFFFAOYSA-N
XLogP4.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 112916109
2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112907146
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852
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
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872484
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054
4-[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914652

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine (CID 112915514) is N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(NCc2ccccc2)nc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is YXKPXGCEKLOPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-19-16-23(25-18-22-10-6-3-7-11-22)27-24(26-19)28-14-12-21(13-15-28)17-20-8-4-2-5-9-20/h2-11,16,21H,12-15,17-18H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 372.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112915514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).