5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one

C13H14N2O3 — CID 114204923

IUPAC5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cc2ncc(CO)c(=O)[nH]2)c1
InChIInChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(5-11)6-12-14-7-10(8-16)13(17)15-12/h2-5,7,16H,6,8H2,1H3,(H,14,15,17)
InChIKeyPITLRGOLQAKKPW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.86
Rot. Bonds4

About 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one

5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 114204923) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID114204923
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cc2ncc(CO)c(=O)[nH]2)c1
InChIInChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(5-11)6-12-14-7-10(8-16)13(17)15-12/h2-5,7,16H,6,8H2,1H3,(H,14,15,17)
InChIKeyPITLRGOLQAKKPW-UHFFFAOYSA-N
XLogP0.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204917
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
[2-[(3-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204972
[4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol
CID 81237760
[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093702
6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 67492155
methyl 11-[(3-methoxyphenyl)methyl]-13-oxo-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-5-carboxylate
CID 136981378
(3-methoxyphenyl)(113C)methanol
CID 11593446
4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
CID 118471216
6-(2-hydroxypropyl)-2-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135540683
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135975552

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 114204923) is 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1cccc(Cc2ncc(CO)c(=O)[nH]2)c1.
What is the InChIKey of 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is PITLRGOLQAKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-11-4-2-3-9(5-11)6-12-14-7-10(8-16)13(17)15-12/h2-5,7,16H,6,8H2,1H3,(H,14,15,17).
What are the key properties of 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114204923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).