6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile

C12H10N4O — CID 107545995

IUPAC6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cccnc2C)n1
InChIInChI=1S/C12H10N4O/c1-8-6-10(7-13)16-12(15-8)17-11-4-3-5-14-9(11)2/h3-6H,1-2H3
InChIKeyYMVVZZFZLJWFJL-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.15
Rot. Bonds2

About 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile

6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile (PubChem CID 107545995) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
PubChem CID107545995
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2cccnc2C)n1
InChIInChI=1S/C12H10N4O/c1-8-6-10(7-13)16-12(15-8)17-11-4-3-5-14-9(11)2/h3-6H,1-2H3
InChIKeyYMVVZZFZLJWFJL-UHFFFAOYSA-N
XLogP2.15
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]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

6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545714
6-methyl-2-(2-methylquinolin-8-yl)oxypyrimidine-4-carbonitrile
CID 107545802
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 107928229
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81283347
2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
4-chloro-2-(4-cyano-6-methylpyrimidin-2-yl)oxybenzoic acid
CID 107553002
2-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545863
2-(4-chloro-3,5-dimethylphenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545806
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile (CID 107545995) is 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Oc2cccnc2C)n1.
What is the InChIKey of 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile?
The InChIKey is YMVVZZFZLJWFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-6-10(7-13)16-12(15-8)17-11-4-3-5-14-9(11)2/h3-6H,1-2H3.
What are the key properties of 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile?
6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).