4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one

C14H16N2O5 — CID 550589

IUPAC4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cc2nc(O)cc(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-19-9-4-8(5-10(20-2)14(9)21-3)6-11-15-12(17)7-13(18)16-11/h4-5,7H,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyQASXTVUDQGBPQN-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.09
Rot. Bonds5

About 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one

4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 550589) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID550589
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cc(Cc2nc(O)cc(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-19-9-4-8(5-10(20-2)14(9)21-3)6-11-15-12(17)7-13(18)16-11/h4-5,7H,6H2,1-3H3,(H2,15,16,17,18)
InChIKeyQASXTVUDQGBPQN-UHFFFAOYSA-N
XLogP1.09
TPSA93.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 550589) is 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1cc(Cc2nc(O)cc(=O)[nH]2)cc(OC)c1OC.
What is the InChIKey of 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is QASXTVUDQGBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-19-9-4-8(5-10(20-2)14(9)21-3)6-11-15-12(17)7-13(18)16-11/h4-5,7H,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 292.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 550589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).