5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C13H14N2O5 — CID 1396855

IUPAC5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C13H14N2O5/c1-19-8-4-3-7(10(6-8)20-2)5-9-11(16)14-13(18)15-12(9)17/h3-4,6H,5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyNLFMJZOEFHKFMO-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.38
Rot. Bonds4

About 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 1396855) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID1396855
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C13H14N2O5/c1-19-8-4-3-7(10(6-8)20-2)5-9-11(16)14-13(18)15-12(9)17/h3-4,6H,5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyNLFMJZOEFHKFMO-UHFFFAOYSA-N
XLogP0.38
TPSA104.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 1396855) is 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is COc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is NLFMJZOEFHKFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-8-4-3-7(10(6-8)20-2)5-9-11(16)14-13(18)15-12(9)17/h3-4,6H,5H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 278.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1396855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).