4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile

C15H15N3O2 — CID 116894919

IUPAC4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile
SMILESCOc1ccc(-c2cc(C)nc(C#N)n2)c(OC)c1C
InChIInChI=1S/C15H15N3O2/c1-9-7-12(18-14(8-16)17-9)11-5-6-13(19-3)10(2)15(11)20-4/h5-7H,1-4H3
InChIKeyNOAOUYCNQSJPST-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile

4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile (PubChem CID 116894919) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile
PubChem CID116894919
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile
SMILESCOc1ccc(-c2cc(C)nc(C#N)n2)c(OC)c1C
InChIInChI=1S/C15H15N3O2/c1-9-7-12(18-14(8-16)17-9)11-5-6-13(19-3)10(2)15(11)20-4/h5-7H,1-4H3
InChIKeyNOAOUYCNQSJPST-UHFFFAOYSA-N
XLogP2.65
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxy-2,3,5-trimethylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894914
5-(2,4-dimethoxy-3-methylphenyl)-1H-pyrazole-3-carbonitrile
CID 116858553
4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile
CID 116900932
4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894862
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
4-(2,4-dimethoxy-3-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900544
1-[6-(2,4-dimethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95475627
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329
4-(3-bromophenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894958
3-[4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-yl]propanenitrile
CID 116895108

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile?
The IUPAC name of 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile (CID 116894919) is 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile is COc1ccc(-c2cc(C)nc(C#N)n2)c(OC)c1C.
What is the InChIKey of 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile?
The InChIKey is NOAOUYCNQSJPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-7-12(18-14(8-16)17-9)11-5-6-13(19-3)10(2)15(11)20-4/h5-7H,1-4H3.
What are the key properties of 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile?
4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbonitrile is sourced from PubChem (CID 116894919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).