4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile

C15H15N3O2 — CID 116900932

IUPAC4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile
SMILESCOc1cc(-c2ccnc(C#N)n2)c(OC)c(C)c1C
InChIInChI=1S/C15H15N3O2/c1-9-10(2)15(20-4)11(7-13(9)19-3)12-5-6-17-14(8-16)18-12/h5-7H,1-4H3
InChIKeyYLIRAIUKUJDKIV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile

4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile (PubChem CID 116900932) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile
PubChem CID116900932
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile
SMILESCOc1cc(-c2ccnc(C#N)n2)c(OC)c(C)c1C
InChIInChI=1S/C15H15N3O2/c1-9-10(2)15(20-4)11(7-13(9)19-3)12-5-6-17-14(8-16)18-12/h5-7H,1-4H3
InChIKeyYLIRAIUKUJDKIV-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile (CID 116900932) is 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile is COc1cc(-c2ccnc(C#N)n2)c(OC)c(C)c1C.
What is the InChIKey of 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile?
The InChIKey is YLIRAIUKUJDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-10(2)15(20-4)11(7-13(9)19-3)12-5-6-17-14(8-16)18-12/h5-7H,1-4H3.
What are the key properties of 4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile?
4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-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-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 116900932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).