4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

C12H12N2O2 — CID 63613771

IUPAC4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-8-4-2-3-5-9(8)6-10-13-11(15)7-12(16)14-10/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyYEUGQUCOCNOIHR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.37
Rot. Bonds2

About 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 63613771) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID63613771
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-8-4-2-3-5-9(8)6-10-13-11(15)7-12(16)14-10/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyYEUGQUCOCNOIHR-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
CID 67282201
6-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 106475667
4-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 63611571
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 115926310
4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
CID 82947392
5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 139016979
4-hydroxy-2-(4-methylpentyl)-1H-pyrimidin-6-one
CID 127044148
2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612612
ethane;2-[2-(4-ethylphenyl)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 145305521
4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553741
6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477942
N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816370

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (CID 63613771) is 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is Cc1ccccc1Cc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is YEUGQUCOCNOIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-4-2-3-5-9(8)6-10-13-11(15)7-12(16)14-10/h2-5,7H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63613771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).