4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile

C14H13N3 — CID 116894862

IUPAC4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile
SMILESCc1ccc(C)c(-c2cc(C)nc(C#N)n2)c1
InChIInChI=1S/C14H13N3/c1-9-4-5-10(2)12(6-9)13-7-11(3)16-14(8-15)17-13/h4-7H,1-3H3
InChIKeyPHPWPKGGLDAQFK-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.94
Rot. Bonds1

About 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile

4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile (PubChem CID 116894862) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile
PubChem CID116894862
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile
SMILESCc1ccc(C)c(-c2cc(C)nc(C#N)n2)c1
InChIInChI=1S/C14H13N3/c1-9-4-5-10(2)12(6-9)13-7-11(3)16-14(8-15)17-13/h4-7H,1-3H3
InChIKeyPHPWPKGGLDAQFK-UHFFFAOYSA-N
XLogP2.94
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
CID 116897213
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
4-(4-methoxy-2,3,5-trimethylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894914
4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894919
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050
4-(3-bromophenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894958
2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3505771
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3517163
3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116892969
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
4-(4-butan-2-ylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894881

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile?
The IUPAC name of 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile (CID 116894862) is 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile is Cc1ccc(C)c(-c2cc(C)nc(C#N)n2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile?
The InChIKey is PHPWPKGGLDAQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-4-5-10(2)12(6-9)13-7-11(3)16-14(8-15)17-13/h4-7H,1-3H3.
What are the key properties of 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile?
4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile is sourced from PubChem (CID 116894862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).