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

C11H9ClN4O3 — CID 22433670

IUPAC1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9ClN4O3/c12-6-2-1-3-7(4-6)14-11(19)15-8-5-13-10(18)16-9(8)17/h1-5H,(H2,14,15,19)(H2,13,16,17,18)
InChIKeyAVTGCIMHLRJHJD-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.36
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (PubChem CID 22433670) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
PubChem CID22433670
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9ClN4O3/c12-6-2-1-3-7(4-6)14-11(19)15-8-5-13-10(18)16-9(8)17/h1-5H,(H2,14,15,19)(H2,13,16,17,18)
InChIKeyAVTGCIMHLRJHJD-UHFFFAOYSA-N
XLogP1.36
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (CID 22433670) is 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The InChIKey is AVTGCIMHLRJHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c12-6-2-1-3-7(4-6)14-11(19)15-8-5-13-10(18)16-9(8)17/h1-5H,(H2,14,15,19)(H2,13,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea has a molecular weight of 280.67 g/mol, XLogP of 1.36, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is sourced from PubChem (CID 22433670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).