6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile

C9H4BrN3O — CID 121206244

IUPAC6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(Br)o2)ncn1
InChIInChI=1S/C9H4BrN3O/c10-9-2-1-8(14-9)7-3-6(4-11)12-5-13-7/h1-3,5H
InChIKeyMJXVWWWQCBVNTB-UHFFFAOYSA-N
MW250.06 g/mol
LogP2.37
Rot. Bonds1

About 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile

6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile (PubChem CID 121206244) has the molecular formula C9H4BrN3O and a molecular weight of 250.06 g/mol. Its IUPAC name is 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile
PubChem CID121206244
Molecular FormulaC9H4BrN3O
Molecular Weight250.06 g/mol
Exact Mass248.95
IUPAC Name6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(Br)o2)ncn1
InChIInChI=1S/C9H4BrN3O/c10-9-2-1-8(14-9)7-3-6(4-11)12-5-13-7/h1-3,5H
InChIKeyMJXVWWWQCBVNTB-UHFFFAOYSA-N
XLogP2.37
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromofuran-2-yl)pyridine-2-carbonitrile
CID 90318369
6-(5-bromofuran-2-yl)pyridine-3-carbonitrile
CID 10911901
6-(3-iodophenyl)pyrimidine-4-carbonitrile
CID 121206291
6-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
CID 58774788
6-methylpyrimidine-4-carbonitrile
CID 12684335
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid
CID 121205718
4,5-dibromopyridine-2-carbonitrile
CID 118846548
[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol
CID 115092903
2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
CID 118902672
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
CID 115142786

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile (CID 121206244) is 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile is N#Cc1cc(-c2ccc(Br)o2)ncn1.
What is the InChIKey of 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile?
The InChIKey is MJXVWWWQCBVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrN3O/c10-9-2-1-8(14-9)7-3-6(4-11)12-5-13-7/h1-3,5H.
What are the key properties of 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile?
6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile has a molecular weight of 250.06 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 121206244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).