4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one

C18H16N2O4 — CID 165345881

IUPAC4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(-c3ccc(OC)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-13-7-3-11(4-8-13)15-17(21)19-16(20-18(15)22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyBTFJMSAXCWAZCC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.83
Rot. Bonds4

About 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one

4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 165345881) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID165345881
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(-c3ccc(OC)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H16N2O4/c1-23-13-7-3-11(4-8-13)15-17(21)19-16(20-18(15)22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyBTFJMSAXCWAZCC-UHFFFAOYSA-N
XLogP2.83
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
CID 122574011
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
CID 79436382
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66311923
4-hydroxy-5-methyl-2-(4-propoxyphenyl)-1H-pyrimidin-6-one
CID 46734906
2-(4-methoxyphenyl)-4,5-dimethylidene-1H-imidazole
CID 123981198
2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611423
5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
2-(4-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 1116711
methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
CID 79436249

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 165345881) is 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2nc(O)c(-c3ccc(OC)cc3)c(=O)[nH]2)cc1.
What is the InChIKey of 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is BTFJMSAXCWAZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-13-7-3-11(4-8-13)15-17(21)19-16(20-18(15)22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one?
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 324.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 165345881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).