1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone

C19H21F3N4O2 — CID 56897085

About 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 56897085) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 56897085
• Molecular Formula: C19H21F3N4O2
• Molecular Weight: 394.40 g/mol
• Exact Mass: 394.16
• IUPAC Name: 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone
• SMILES: Cc1nc2c(c(N(C)C)n1)CCN(C(=O)C(O)c1ccc(C(F)(F)F)cc1)C2
• InChI: InChI=1S/C19H21F3N4O2/c1-11-23-15-10-26(9-8-14(15)17(24-11)25(2)3)18(28)16(27)12-4-6-13(7-5-12)19(20,21)22/h4-7,16,27H,8-10H2,1-3H3
• InChIKey: SFEVUGOPQPDSNJ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.40
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone (CID 56897085) is 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone is Cc1nc2c(c(N(C)C)n1)CCN(C(=O)C(O)c1ccc(C(F)(F)F)cc1)C2.

What is the InChIKey of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?

The InChIKey is SFEVUGOPQPDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-11-23-15-10-26(9-8-14(15)17(24-11)25(2)3)18(28)16(27)12-4-6-13(7-5-12)19(20,21)22/h4-7,16,27H,8-10H2,1-3H3.

What are the key properties of 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone?

1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 394.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 56897085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).