1-(3-bromophenyl)-3-pyrazin-2-ylurea

C11H9BrN4O — CID 110492436

IUPAC1-(3-bromophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cccc(Br)c1)Nc1cnccn1
InChIInChI=1S/C11H9BrN4O/c12-8-2-1-3-9(6-8)15-11(17)16-10-7-13-4-5-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyUPSIDOPQNAXFGX-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.88
Rot. Bonds2

About 1-(3-bromophenyl)-3-pyrazin-2-ylurea

1-(3-bromophenyl)-3-pyrazin-2-ylurea (PubChem CID 110492436) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-pyrazin-2-ylurea
PubChem CID110492436
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name1-(3-bromophenyl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cccc(Br)c1)Nc1cnccn1
InChIInChI=1S/C11H9BrN4O/c12-8-2-1-3-9(6-8)15-11(17)16-10-7-13-4-5-14-10/h1-7H,(H2,14,15,16,17)
InChIKeyUPSIDOPQNAXFGX-UHFFFAOYSA-N
XLogP2.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891
1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
CID 108893864
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266
2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid
CID 110492352
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-[6-(3-bromoanilino)pyridazin-3-yl]-3-phenylurea
CID 113050107
N-(3-bromophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513988
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
N-(3-methylphenyl)-3-(pyrazin-2-ylamino)propanamide
CID 134713732
1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea
CID 110492610

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(3-bromophenyl)-3-pyrazin-2-ylurea (CID 110492436) is 1-(3-bromophenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(3-bromophenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(3-bromophenyl)-3-pyrazin-2-ylurea is O=C(Nc1cccc(Br)c1)Nc1cnccn1.
What is the InChIKey of 1-(3-bromophenyl)-3-pyrazin-2-ylurea?
The InChIKey is UPSIDOPQNAXFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-8-2-1-3-9(6-8)15-11(17)16-10-7-13-4-5-14-10/h1-7H,(H2,14,15,16,17).
What are the key properties of 1-(3-bromophenyl)-3-pyrazin-2-ylurea?
1-(3-bromophenyl)-3-pyrazin-2-ylurea has a molecular weight of 293.12 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).