[3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid

C17H15N2O6P — CID 100959268

IUPAC[3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid
SMILESCOc1ccc(-n2c(=O)[nH]c(-c3ccccc3)c(P(=O)(O)O)c2=O)cc1
InChIInChI=1S/C17H15N2O6P/c1-25-13-9-7-12(8-10-13)19-16(20)15(26(22,23)24)14(18-17(19)21)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,21)(H2,22,23,24)
InChIKeyCWBSUVGQZGZKND-UHFFFAOYSA-N
MW374.29 g/mol
LogP1.00
Rot. Bonds4

About [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid

[3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid (PubChem CID 100959268) has the molecular formula C17H15N2O6P and a molecular weight of 374.29 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid
PubChem CID100959268
Molecular FormulaC17H15N2O6P
Molecular Weight374.29 g/mol
Exact Mass374.07
IUPAC Name[3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid
SMILESCOc1ccc(-n2c(=O)[nH]c(-c3ccccc3)c(P(=O)(O)O)c2=O)cc1
InChIInChI=1S/C17H15N2O6P/c1-25-13-9-7-12(8-10-13)19-16(20)15(26(22,23)24)14(18-17(19)21)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,21)(H2,22,23,24)
InChIKeyCWBSUVGQZGZKND-UHFFFAOYSA-N
XLogP1.00
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1H-imidazol-2-one
CID 24786909
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684
5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione
CID 19896214
3-(4-methoxyphenyl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261977
4-bromo-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
CID 139230707
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
1-(4-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CID 6457804
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid?
The IUPAC name of [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid (CID 100959268) is [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid.
What is the SMILES notation for [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid?
The canonical SMILES for [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid is COc1ccc(-n2c(=O)[nH]c(-c3ccccc3)c(P(=O)(O)O)c2=O)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid?
The InChIKey is CWBSUVGQZGZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2O6P/c1-25-13-9-7-12(8-10-13)19-16(20)15(26(22,23)24)14(18-17(19)21)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,21)(H2,22,23,24).
What are the key properties of [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid?
[3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid has a molecular weight of 374.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid is sourced from PubChem (CID 100959268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).