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

C16H14N4O5 — CID 3121103

IUPAC4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(C(c2c(O)nc[nH]c2=O)c2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C16H14N4O5/c1-25-9-4-2-8(3-5-9)10(11-13(21)17-6-18-14(11)22)12-15(23)19-7-20-16(12)24/h2-7,10H,1H3,(H2,17,18,21,22)(H2,19,20,23,24)
InChIKeyWRWXLLYADZBQOB-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.45
Rot. Bonds4

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

4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 3121103) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID3121103
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(C(c2c(O)nc[nH]c2=O)c2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C16H14N4O5/c1-25-9-4-2-8(3-5-9)10(11-13(21)17-6-18-14(11)22)12-15(23)19-7-20-16(12)24/h2-7,10H,1H3,(H2,17,18,21,22)(H2,19,20,23,24)
InChIKeyWRWXLLYADZBQOB-UHFFFAOYSA-N
XLogP0.45
TPSA141.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 3121103) is 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1ccc(C(c2c(O)nc[nH]c2=O)c2c(O)nc[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is WRWXLLYADZBQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-25-9-4-2-8(3-5-9)10(11-13(21)17-6-18-14(11)22)12-15(23)19-7-20-16(12)24/h2-7,10H,1H3,(H2,17,18,21,22)(H2,19,20,23,24).
What are the key properties of 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 342.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 3121103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).