6-iodo-2-methylpyrimidine-4-carbonitrile

C6H4IN3 — CID 130623670

IUPAC6-iodo-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(I)cc(C#N)n1
InChIInChI=1S/C6H4IN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,1H3
InChIKeyBTDHIFFPAZHKHY-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.26
Rot. Bonds

About 6-iodo-2-methylpyrimidine-4-carbonitrile

6-iodo-2-methylpyrimidine-4-carbonitrile (PubChem CID 130623670) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 6-iodo-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-iodo-2-methylpyrimidine-4-carbonitrile
PubChem CID130623670
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name6-iodo-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(I)cc(C#N)n1
InChIInChI=1S/C6H4IN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,1H3
InChIKeyBTDHIFFPAZHKHY-UHFFFAOYSA-N
XLogP1.26
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-iodo-2-methylpyrimidine-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-iodo-6-methylpyridine-2-carbonitrile
CID 46835594
2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile
CID 121206724
6-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carbonitrile
CID 116857855
6-iodo-2,4-dimethylpyridine-3-carbonitrile
CID 89146475
2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile
CID 116857963
2-methyl-6-(5-methyl-1,2-oxazol-4-yl)pyrimidine-4-carbonitrile
CID 121206735
6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile
CID 121206712
6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile
CID 121206725
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-chloro-6-iodopyridine-4-carbonitrile
CID 89003814
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115143317
2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile
CID 116857857

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-iodo-2-methylpyrimidine-4-carbonitrile (CID 130623670) is 6-iodo-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-iodo-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-iodo-2-methylpyrimidine-4-carbonitrile is Cc1nc(I)cc(C#N)n1.
What is the InChIKey of 6-iodo-2-methylpyrimidine-4-carbonitrile?
The InChIKey is BTDHIFFPAZHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,1H3.
What are the key properties of 6-iodo-2-methylpyrimidine-4-carbonitrile?
6-iodo-2-methylpyrimidine-4-carbonitrile has a molecular weight of 245.02 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 130623670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).