1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea

C13H11BrN4O — CID 108905078

IUPAC1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
SMILESO=C(N/C=C/c1ccccc1Br)Nc1ncccn1
InChIInChI=1S/C13H11BrN4O/c14-11-5-2-1-4-10(11)6-9-17-13(19)18-12-15-7-3-8-16-12/h1-9H,(H2,15,16,17,18,19)/b9-6+
InChIKeyCKCRBGJOFSCZDA-RMKNXTFCSA-N
MW319.16 g/mol
LogP3.03
Rot. Bonds3

About 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea

1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea (PubChem CID 108905078) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
PubChem CID108905078
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
SMILESO=C(N/C=C/c1ccccc1Br)Nc1ncccn1
InChIInChI=1S/C13H11BrN4O/c14-11-5-2-1-4-10(11)6-9-17-13(19)18-12-15-7-3-8-16-12/h1-9H,(H2,15,16,17,18,19)/b9-6+
InChIKeyCKCRBGJOFSCZDA-RMKNXTFCSA-N
XLogP3.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108905244
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]urea
CID 108905000
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108905003
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea
CID 108905169
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905249
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108905287
2-[3-(2-bromophenyl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003733
1-(5-bromo-2-pyridinyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903794
methyl 4-[[[(E)-2-(2-bromophenyl)ethenyl]carbamoylamino]methyl]benzoate
CID 108905256

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea (CID 108905078) is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea is O=C(N/C=C/c1ccccc1Br)Nc1ncccn1.
What is the InChIKey of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea?
The InChIKey is CKCRBGJOFSCZDA-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H11BrN4O/c14-11-5-2-1-4-10(11)6-9-17-13(19)18-12-15-7-3-8-16-12/h1-9H,(H2,15,16,17,18,19)/b9-6+.
What are the key properties of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea?
1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea has a molecular weight of 319.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108905078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).