4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile

C15H14N4O2 — CID 59569258

IUPAC4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile
SMILESCOc1cc2c(cc1OC)CN(c1ccnc(C#N)n1)C2
InChIInChI=1S/C15H14N4O2/c1-20-12-5-10-8-19(9-11(10)6-13(12)21-2)15-3-4-17-14(7-16)18-15/h3-6H,8-9H2,1-2H3
InChIKeyKYTNPKNFHHWJTI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.89
Rot. Bonds3

About 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile

4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile (PubChem CID 59569258) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile
PubChem CID59569258
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile
SMILESCOc1cc2c(cc1OC)CN(c1ccnc(C#N)n1)C2
InChIInChI=1S/C15H14N4O2/c1-20-12-5-10-8-19(9-11(10)6-13(12)21-2)15-3-4-17-14(7-16)18-15/h3-6H,8-9H2,1-2H3
InChIKeyKYTNPKNFHHWJTI-UHFFFAOYSA-N
XLogP1.89
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile (CID 59569258) is 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile is COc1cc2c(cc1OC)CN(c1ccnc(C#N)n1)C2.
What is the InChIKey of 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile?
The InChIKey is KYTNPKNFHHWJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-12-5-10-8-19(9-11(10)6-13(12)21-2)15-3-4-17-14(7-16)18-15/h3-6H,8-9H2,1-2H3.
What are the key properties of 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile?
4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 59569258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).