4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H28N4 — CID 71238867

IUPAC4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCC3)c2C1
InChIInChI=1S/C25H28N4/c1-17-8-4-5-11-22(17)29-15-12-21-20(16-29)25(28-13-7-14-28)27-24(26-21)23-18(2)9-6-10-19(23)3/h4-6,8-11H,7,12-16H2,1-3H3
InChIKeyYWVOJQPMWFVFEB-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.84
Rot. Bonds3

About 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 71238867) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID71238867
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCC3)c2C1
InChIInChI=1S/C25H28N4/c1-17-8-4-5-11-22(17)29-15-12-21-20(16-29)25(28-13-7-14-28)27-24(26-21)23-18(2)9-6-10-19(23)3/h4-6,8-11H,7,12-16H2,1-3H3
InChIKeyYWVOJQPMWFVFEB-UHFFFAOYSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 71238867) is 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCC3)c2C1.
What is the InChIKey of 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YWVOJQPMWFVFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-17-8-4-5-11-22(17)29-15-12-21-20(16-29)25(28-13-7-14-28)27-24(26-21)23-18(2)9-6-10-19(23)3/h4-6,8-11H,7,12-16H2,1-3H3.
What are the key properties of 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 384.53 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71238867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).