2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C13H13ClN2O2 — CID 63611264

IUPAC2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(Cc2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C13H13ClN2O2/c1-2-10-12(17)15-11(16-13(10)18)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyGSVPOSKNBJLTLY-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.28
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63611264) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63611264
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(Cc2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C13H13ClN2O2/c1-2-10-12(17)15-11(16-13(10)18)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyGSVPOSKNBJLTLY-UHFFFAOYSA-N
XLogP2.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63613611
5-ethyl-2-[(3-fluorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63613280
5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
CID 55215281
2-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 18629153
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 82802809
5-[(3-chlorophenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 91380281
2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612279
2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63613283
5-[(3-chlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 66490650
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888480
[2-[(3-chlorophenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl]phosphonic acid
CID 66586548

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63611264) is 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(Cc2cccc(Cl)c2)[nH]c1=O.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GSVPOSKNBJLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-10-12(17)15-11(16-13(10)18)7-8-4-3-5-9(14)6-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 264.71 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63611264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).