5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one

C14H16N2O2S — CID 66094453

IUPAC5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSc2ccccc2C)[nH]c1=O
InChIInChI=1S/C14H16N2O2S/c1-3-10-13(17)15-12(16-14(10)18)8-19-11-7-5-4-6-9(11)2/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyNOIGIJBIFUOLBB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.64
Rot. Bonds4

About 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one (PubChem CID 66094453) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
PubChem CID66094453
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSc2ccccc2C)[nH]c1=O
InChIInChI=1S/C14H16N2O2S/c1-3-10-13(17)15-12(16-14(10)18)8-19-11-7-5-4-6-9(11)2/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyNOIGIJBIFUOLBB-UHFFFAOYSA-N
XLogP2.64
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-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-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 66144618
5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66065958
2-[(4-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 66057250
5-iodo-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66315338
5-ethyl-4-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 63612447
2-benzylsulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 3414179
2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941025
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284562
5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
CID 55215281
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-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79423547

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one (CID 66094453) is 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one is CCc1c(O)nc(CSc2ccccc2C)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
The InChIKey is NOIGIJBIFUOLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-10-13(17)15-12(16-14(10)18)8-19-11-7-5-4-6-9(11)2/h4-7H,3,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one has a molecular weight of 276.36 g/mol, XLogP of 2.64, 4 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-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 66094453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).