1-benzyl-3-(5-bromopyrazin-2-yl)urea

C12H11BrN4O — CID 107653654

IUPAC1-benzyl-3-(5-bromopyrazin-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cnc(Br)cn1
InChIInChI=1S/C12H11BrN4O/c13-10-7-15-11(8-14-10)17-12(18)16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,16,17,18)
InChIKeyIQZMLZTWYRIZJN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.56
Rot. Bonds3

About 1-benzyl-3-(5-bromopyrazin-2-yl)urea

1-benzyl-3-(5-bromopyrazin-2-yl)urea (PubChem CID 107653654) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 1-benzyl-3-(5-bromopyrazin-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-bromopyrazin-2-yl)urea
PubChem CID107653654
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name1-benzyl-3-(5-bromopyrazin-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cnc(Br)cn1
InChIInChI=1S/C12H11BrN4O/c13-10-7-15-11(8-14-10)17-12(18)16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,16,17,18)
InChIKeyIQZMLZTWYRIZJN-UHFFFAOYSA-N
XLogP2.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-N-[(4-phenylphenyl)methyl]pyrazin-2-amine
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1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
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1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
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N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 137001059
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
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CID 108868273

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-bromopyrazin-2-yl)urea?
The IUPAC name of 1-benzyl-3-(5-bromopyrazin-2-yl)urea (CID 107653654) is 1-benzyl-3-(5-bromopyrazin-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(5-bromopyrazin-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(5-bromopyrazin-2-yl)urea is O=C(NCc1ccccc1)Nc1cnc(Br)cn1.
What is the InChIKey of 1-benzyl-3-(5-bromopyrazin-2-yl)urea?
The InChIKey is IQZMLZTWYRIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-10-7-15-11(8-14-10)17-12(18)16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,16,17,18).
What are the key properties of 1-benzyl-3-(5-bromopyrazin-2-yl)urea?
1-benzyl-3-(5-bromopyrazin-2-yl)urea has a molecular weight of 307.15 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-bromopyrazin-2-yl)urea is sourced from PubChem (CID 107653654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).