1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea

C13H14N4O5 — CID 20929965

IUPAC1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N4O5/c1-21-9-4-3-7(5-10(9)22-2)15-13(20)16-8-6-14-12(19)17-11(8)18/h3-6H,1-2H3,(H2,15,16,20)(H2,14,17,18,19)
InChIKeyZAARJHUWQLRJDW-UHFFFAOYSA-N
MW306.28 g/mol
LogP0.72
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea

1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (PubChem CID 20929965) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
PubChem CID20929965
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N4O5/c1-21-9-4-3-7(5-10(9)22-2)15-13(20)16-8-6-14-12(19)17-11(8)18/h3-6H,1-2H3,(H2,15,16,20)(H2,14,17,18,19)
InChIKeyZAARJHUWQLRJDW-UHFFFAOYSA-N
XLogP0.72
TPSA125.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (CID 20929965) is 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is COc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The InChIKey is ZAARJHUWQLRJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c1-21-9-4-3-7(5-10(9)22-2)15-13(20)16-8-6-14-12(19)17-11(8)18/h3-6H,1-2H3,(H2,15,16,20)(H2,14,17,18,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea has a molecular weight of 306.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is sourced from PubChem (CID 20929965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).