2-(2,6-Dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

HCID 71244810

Notes Reactions

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Basic information

Standard SMILES: COCCCOc1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C(C)C)ccc1C)CC2
InChIKey: ZJBRDDIVVRNTIU-UHFFFAOYSA-N
Molecular formula: C29H37N3O2
Average molar mass: 459.6 g/mol

Names & identifiers

Preferred name: 2-(2,6-Dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
IUPAC: 2-(2,6-dimethylphenyl)-4-(3-methoxypropoxy)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Names & synonyms

CHEMBL3646986SCHEMBL14671897ZJBRDDIVVRNTIU-UHFFFAOYSA-NBDBM134553US8846656, 39-D2-(2,6-dimethylphenyl)-6-(5-isopropyl-2-methylphenyl)-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Database identifiers

PubChem CID: 71244810
ChEMBL: CHEMBL3646986

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 47.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 606

Related reactions

1 records

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HRID 80818As productuspto-grants-2014_09

Compound notes

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