2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

C25H30N4 — CID 112916109

IUPAC2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2cc(C)nc(N3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C25H30N4/c1-19-7-6-10-23(15-19)18-26-24-16-20(2)27-25(28-24)29-13-11-22(12-14-29)17-21-8-4-3-5-9-21/h3-10,15-16,22H,11-14,17-18H2,1-2H3,(H,26,27,28)
InChIKeyNCCSMKAWSJZCKA-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.16
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 112916109) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID112916109
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2cc(C)nc(N3CCC(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C25H30N4/c1-19-7-6-10-23(15-19)18-26-24-16-20(2)27-25(28-24)29-13-11-22(12-14-29)17-21-8-4-3-5-9-21/h3-10,15-16,22H,11-14,17-18H2,1-2H3,(H,26,27,28)
InChIKeyNCCSMKAWSJZCKA-UHFFFAOYSA-N
XLogP5.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
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-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872484
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112910881
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
3-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948261
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (CID 112916109) is 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine is Cc1cccc(CNc2cc(C)nc(N3CCC(Cc4ccccc4)CC3)n2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is NCCSMKAWSJZCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-19-7-6-10-23(15-19)18-26-24-16-20(2)27-25(28-24)29-13-11-22(12-14-29)17-21-8-4-3-5-9-21/h3-10,15-16,22H,11-14,17-18H2,1-2H3,(H,26,27,28).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 386.54 g/mol, XLogP of 5.16, 6 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-[(3-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 112916109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).