1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea

C14H15BrN4O2 — CID 119040647

IUPAC1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea
SMILESCOc1cnc(NC(=O)NC(C)c2ccccc2Br)nc1
InChIInChI=1S/C14H15BrN4O2/c1-9(11-5-3-4-6-12(11)15)18-14(20)19-13-16-7-10(21-2)8-17-13/h3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyUUVGOAGFNBRTCC-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.13
Rot. Bonds4

About 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea

1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea (PubChem CID 119040647) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea
PubChem CID119040647
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea
SMILESCOc1cnc(NC(=O)NC(C)c2ccccc2Br)nc1
InChIInChI=1S/C14H15BrN4O2/c1-9(11-5-3-4-6-12(11)15)18-14(20)19-13-16-7-10(21-2)8-17-13/h3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyUUVGOAGFNBRTCC-UHFFFAOYSA-N
XLogP3.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-bromophenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194279
N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55503834
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
CID 26004861
1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 55697289
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
methyl 5-[1-(2-bromophenyl)ethylcarbamoylamino]-2,4-difluorobenzoate
CID 78879480
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55483025
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea (CID 119040647) is 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea is COc1cnc(NC(=O)NC(C)c2ccccc2Br)nc1.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea?
The InChIKey is UUVGOAGFNBRTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-9(11-5-3-4-6-12(11)15)18-14(20)19-13-16-7-10(21-2)8-17-13/h3-9H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea?
1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea has a molecular weight of 351.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]-3-(5-methoxypyrimidin-2-yl)urea is sourced from PubChem (CID 119040647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).