5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one

C18H24N4O — CID 136707415

IUPAC5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(C2CCCN(Cc3ccncc3)C2)[nH]c1=O
InChIInChI=1S/C18H24N4O/c1-3-16-13(2)20-17(21-18(16)23)15-5-4-10-22(12-15)11-14-6-8-19-9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,21,23)
InChIKeyZCXZKLYAULXOON-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.42
Rot. Bonds4

About 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136707415) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136707415
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(C2CCCN(Cc3ccncc3)C2)[nH]c1=O
InChIInChI=1S/C18H24N4O/c1-3-16-13(2)20-17(21-18(16)23)15-5-4-10-22(12-15)11-14-6-8-19-9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,21,23)
InChIKeyZCXZKLYAULXOON-UHFFFAOYSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136869640
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
2-cyclohexyl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867260
4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 95110871
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735586
5-ethyl-4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923770
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850333
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
2-[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860350

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one (CID 136707415) is 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one is CCc1c(C)nc(C2CCCN(Cc3ccncc3)C2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is ZCXZKLYAULXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-16-13(2)20-17(21-18(16)23)15-5-4-10-22(12-15)11-14-6-8-19-9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,21,23).
What are the key properties of 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 312.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136707415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).