1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C20H27N5O — CID 70756958

About 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 70756958) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 70756958
• Molecular Formula: C20H27N5O
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.22
• IUPAC Name: 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2cc(C)ccc2C)C1
• InChI: InChI=1S/C20H27N5O/c1-13-6-7-14(2)16(10-13)11-21-19-17-8-9-25(15(3)26)12-18(17)22-20(23-19)24(4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,21,22,23)
• InChIKey: FMGFWDBLFVFTRW-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 70756958) is 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

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

The canonical SMILES for 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2cc(C)ccc2C)C1.

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

The InChIKey is FMGFWDBLFVFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13-6-7-14(2)16(10-13)11-21-19-17-8-9-25(15(3)26)12-18(17)22-20(23-19)24(4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,21,22,23).

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

1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 70756958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).