4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one

C15H18N2O3 — CID 63613291

IUPAC4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2nc(O)c(C(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C15H18N2O3/c1-9(2)13-14(18)16-12(17-15(13)19)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyKWNALHVSXOWFIS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.20
Rot. Bonds4

About 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63613291) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63613291
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2nc(O)c(C(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C15H18N2O3/c1-9(2)13-14(18)16-12(17-15(13)19)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyKWNALHVSXOWFIS-UHFFFAOYSA-N
XLogP2.20
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 66285983
2-[(3,4-dichlorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613807
2-[(2-fluorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217599
2-(2,4-dimethoxyphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611623
2-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941376
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
2-[(4-hydroxyphenyl)methyl]-6-propan-2-yl-3H-quinazolin-4-one
CID 135993647
5-bromo-2-[(4-methoxyphenyl)methyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481239
2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613309
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
5-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868395

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one (CID 63613291) is 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one is COc1ccc(Cc2nc(O)c(C(C)C)c(=O)[nH]2)cc1.
What is the InChIKey of 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KWNALHVSXOWFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)13-14(18)16-12(17-15(13)19)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 274.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).