4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one

C18H24N4O — CID 137264971

IUPAC4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCCCC3CC)nc2)n1
InChIInChI=1S/C18H24N4O/c1-3-14-11-17(23)21-18(20-14)13-8-9-16(19-12-13)22-10-6-5-7-15(22)4-2/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,20,21,23)
InChIKeyISGUELIRZIRZRY-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.16
Rot. Bonds4

About 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137264971) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137264971
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N3CCCCC3CC)nc2)n1
InChIInChI=1S/C18H24N4O/c1-3-14-11-17(23)21-18(20-14)13-8-9-16(19-12-13)22-10-6-5-7-15(22)4-2/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,20,21,23)
InChIKeyISGUELIRZIRZRY-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136581628
1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 137061301
2-[6-(4,4-dimethylazepan-1-yl)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137275494
4-ethyl-2-[6-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268715
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264948
4-ethyl-2-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 136527471
4-ethyl-2-[6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257680
tert-butyl N-[1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-2-methylpiperidin-4-yl]carbamate
CID 137258135
methyl 2-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 137257748
4-ethyl-2-[6-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137256516
4-ethyl-2-[6-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137251064
4-ethyl-2-[6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137271982

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one (CID 137264971) is 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N3CCCCC3CC)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is ISGUELIRZIRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-14-11-17(23)21-18(20-14)13-8-9-16(19-12-13)22-10-6-5-7-15(22)4-2/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,20,21,23).
What are the key properties of 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 312.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137264971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).