6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile

C12H10BrN3O — CID 91353568

IUPAC6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile
SMILESCC1=NC(=O)NC(c2ccccc2Br)C1C#N
InChIInChI=1S/C12H10BrN3O/c1-7-9(6-14)11(16-12(17)15-7)8-4-2-3-5-10(8)13/h2-5,9,11H,1H3,(H,16,17)
InChIKeyWCCZHSRMLWOCTK-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.81
Rot. Bonds1

About 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile

6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile (PubChem CID 91353568) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile
PubChem CID91353568
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile
SMILESCC1=NC(=O)NC(c2ccccc2Br)C1C#N
InChIInChI=1S/C12H10BrN3O/c1-7-9(6-14)11(16-12(17)15-7)8-4-2-3-5-10(8)13/h2-5,9,11H,1H3,(H,16,17)
InChIKeyWCCZHSRMLWOCTK-UHFFFAOYSA-N
XLogP2.81
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Bromophenyl)-3-methyl-3a,4,5,7-tetrahydropyrazolo[3,4-d]pyrimidin-6-one
CID 168285257
N-((2-Bromophenyl)phenylmethyl)urea
CID 2853590
6-(3-bromo-4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile
CID 90775868
4-(3-bromo-4-fluorophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
CID 90833136
4-(5-bromo-2-fluorophenyl)-5-cyano-N-cyclopropyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
CID 90970361
4-(3-bromo-4-fluorophenyl)-5-cyano-N-cyclopropyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
CID 91288285
4-(5-bromo-2-fluorophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-4,5-dihydropyrimidine-3-carboxamide
CID 91294612
6-(5-bromo-2-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile
CID 91593665
6-(4-fluorophenyl)-2-oxo-4-propan-2-yl-5,6-dihydro-1H-pyrimidine-5-carbonitrile
CID 123953098
1-[1-(2-Bromophenyl)ethyl]-3-pentan-3-ylurea
CID 42944216
4-(2-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
CID 10109305
6-(3-bromophenyl)-5-cyano-3,6-dihydro-4-methyl-2-oxo-(2H)-pyrimidine
CID 22473437

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile (CID 91353568) is 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile is CC1=NC(=O)NC(c2ccccc2Br)C1C#N.
What is the InChIKey of 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile?
The InChIKey is WCCZHSRMLWOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-7-9(6-14)11(16-12(17)15-7)8-4-2-3-5-10(8)13/h2-5,9,11H,1H3,(H,16,17).
What are the key properties of 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile?
6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile has a molecular weight of 292.14 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 91353568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).