1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea

C12H11BrN4O — CID 108893864

IUPAC1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
SMILESCc1cc(Br)ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H11BrN4O/c1-8-6-9(13)2-3-10(8)16-12(18)17-11-7-14-4-5-15-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyAVQBYJNLIPJPTR-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.19
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea

1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea (PubChem CID 108893864) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
PubChem CID108893864
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea
SMILESCc1cc(Br)ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H11BrN4O/c1-8-6-9(13)2-3-10(8)16-12(18)17-11-7-14-4-5-15-11/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyAVQBYJNLIPJPTR-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
1-(3-bromophenyl)-3-pyrazin-2-ylurea
CID 110492436
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 108812421
1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
CID 110492640
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171966
N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
3-bromo-5-methyl-N-pyrazin-2-ylbenzamide
CID 104851956

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea (CID 108893864) is 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea is Cc1cc(Br)ccc1NC(=O)Nc1cnccn1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea?
The InChIKey is AVQBYJNLIPJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-8-6-9(13)2-3-10(8)16-12(18)17-11-7-14-4-5-15-11/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea?
1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea has a molecular weight of 307.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 108893864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).