[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C19H21N7O — CID 56864475

About [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 56864475) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

• Compound Name: [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone
• PubChem CID: 56864475
• Molecular Formula: C19H21N7O
• Molecular Weight: 363.43 g/mol
• Exact Mass: 363.18
• IUPAC Name: [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone
• SMILES: Cc1cnc(C(=O)N2CCc3c(nc(-c4ccccn4)nc3N(C)C)C2)[nH]1
• InChI: InChI=1S/C19H21N7O/c1-12-10-21-17(22-12)19(27)26-9-7-13-15(11-26)23-16(24-18(13)25(2)3)14-6-4-5-8-20-14/h4-6,8,10H,7,9,11H2,1-3H3,(H,21,22)
• InChIKey: DKSRAKNSPUJYQT-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.43
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 56864475) is [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

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

The canonical SMILES for [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2CCc3c(nc(-c4ccccn4)nc3N(C)C)C2)[nH]1.

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

The InChIKey is DKSRAKNSPUJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12-10-21-17(22-12)19(27)26-9-7-13-15(11-26)23-16(24-18(13)25(2)3)14-6-4-5-8-20-14/h4-6,8,10H,7,9,11H2,1-3H3,(H,21,22).

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

[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 363.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 56864475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).