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

C11H9BrN4O3 — CID 20877004

IUPAC1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9BrN4O3/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)
InChIKeyYNXVOXGYVLWIKI-UHFFFAOYSA-N
MW325.12 g/mol
LogP1.47
Rot. Bonds2

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

1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (PubChem CID 20877004) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
PubChem CID20877004
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H9BrN4O3/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)
InChIKeyYNXVOXGYVLWIKI-UHFFFAOYSA-N
XLogP1.47
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]benzoate
CID 46390718
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854728
N-[(3-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61410076
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide
CID 155694087

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea (CID 20877004) is 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is O=C(Nc1cccc(Br)c1)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
The InChIKey is YNXVOXGYVLWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/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-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea?
1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea has a molecular weight of 325.12 g/mol, XLogP of 1.47, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea is sourced from PubChem (CID 20877004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).