N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine

C24H28N4 — CID 112934501

IUPACN-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(N2CCCCC2)n1
InChIInChI=1S/C24H28N4/c1-2-27(19-20-12-6-3-7-13-20)24-25-22(21-14-8-4-9-15-21)18-23(26-24)28-16-10-5-11-17-28/h3-4,6-9,12-15,18H,2,5,10-11,16-17,19H2,1H3
InChIKeyMPRAGPGSTFAUAN-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.16
Rot. Bonds6

About N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine

N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112934501) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID112934501
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC NameN-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(N2CCCCC2)n1
InChIInChI=1S/C24H28N4/c1-2-27(19-20-12-6-3-7-13-20)24-25-22(21-14-8-4-9-15-21)18-23(26-24)28-16-10-5-11-17-28/h3-4,6-9,12-15,18H,2,5,10-11,16-17,19H2,1H3
InChIKeyMPRAGPGSTFAUAN-UHFFFAOYSA-N
XLogP5.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935382
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
2-N-benzyl-4-N-cyclopropyl-2-N-ethyl-6-phenylpyrimidine-2,4-diamine
CID 112932954
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine (CID 112934501) is N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine is CCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(N2CCCCC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is MPRAGPGSTFAUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-2-27(19-20-12-6-3-7-13-20)24-25-22(21-14-8-4-9-15-21)18-23(26-24)28-16-10-5-11-17-28/h3-4,6-9,12-15,18H,2,5,10-11,16-17,19H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine?
N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 372.52 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).