5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

C12H13N3O2 — CID 55215281

IUPAC5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(Cc2cccnc2)[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-2-9-11(16)14-10(15-12(9)17)6-8-4-3-5-13-7-8/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyXGLGUAJCRDECCA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.02
Rot. Bonds3

About 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 55215281) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID55215281
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(Cc2cccnc2)[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-2-9-11(16)14-10(15-12(9)17)6-8-4-3-5-13-7-8/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyXGLGUAJCRDECCA-UHFFFAOYSA-N
XLogP1.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611264
5-ethyl-2-[(3-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63613280
2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 18629153
5-ethyl-4-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 63612447
2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63891060
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 82802809
5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66094453
5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66065958
7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol
CID 23052399
2-(pyridin-3-ylmethyl)-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione
CID 171387757
2-benzylsulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 3414179
2-[(3-chlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63613611

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one (CID 55215281) is 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one is CCc1c(O)nc(Cc2cccnc2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is XGLGUAJCRDECCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-9-11(16)14-10(15-12(9)17)6-8-4-3-5-13-7-8/h3-5,7H,2,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 55215281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).