2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C24H29N5O — CID 24798111

IUPAC2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c1-3-29(21-11-15-28(16-12-21)18-19-7-5-4-6-8-19)24-26-22(17-23(30)27(24)2)20-9-13-25-14-10-20/h4-10,13-14,17,21H,3,11-12,15-16,18H2,1-2H3
InChIKeyUGQHIGBSHIBHNA-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.33
Rot. Bonds6

About 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 24798111) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID24798111
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c1-3-29(21-11-15-28(16-12-21)18-19-7-5-4-6-8-19)24-26-22(17-23(30)27(24)2)20-9-13-25-14-10-20/h4-10,13-14,17,21H,3,11-12,15-16,18H2,1-2H3
InChIKeyUGQHIGBSHIBHNA-UHFFFAOYSA-N
XLogP3.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[1-(2-phenylacetyl)azepan-4-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59576895
2-[ethyl-[1-(2-phenylacetyl)piperidin-3-yl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59576981
2-[[1-(benzenesulfonyl)piperidin-3-yl]-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59576918
2-[[(5R)-1-benzyl-3a-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-5-yl]-methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 24798109
1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820
(2S)-2-[[ethyl-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 67427006
2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 143560817
2-[ethyl(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 143560840
3-methyl-2-(3-phenylmethoxypyrrolidin-1-yl)-6-pyridin-4-ylpyrimidin-4-one
CID 25002829
N-[3-[methyl-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]heptyl]-1-phenylmethanesulfonamide
CID 163713963
2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine
CID 10497248
but-2-enedioic acid;3-methyl-6-pyridin-4-yl-2-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-1-yl]pyrimidin-4-one
CID 67117405

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 24798111) is 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is UGQHIGBSHIBHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-3-29(21-11-15-28(16-12-21)18-19-7-5-4-6-8-19)24-26-22(17-23(30)27(24)2)20-9-13-25-14-10-20/h4-10,13-14,17,21H,3,11-12,15-16,18H2,1-2H3.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 403.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 24798111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).