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

C19H20N6O — CID 56863729

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

[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 56863729) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone
• PubChem CID: 56863729
• Molecular Formula: C19H20N6O
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.17
• IUPAC Name: [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone
• SMILES: CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc[nH]1)C2
• InChI: InChI=1S/C19H20N6O/c1-24(2)18-14-7-11-25(19(26)15-4-3-8-21-15)12-16(14)22-17(23-18)13-5-9-20-10-6-13/h3-6,8-10,21H,7,11-12H2,1-2H3
• InChIKey: BVGGBXXFUCRZDR-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone (CID 56863729) is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone.

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

The canonical SMILES for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone is CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)c1ccc[nH]1)C2.

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

The InChIKey is BVGGBXXFUCRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24(2)18-14-7-11-25(19(26)15-4-3-8-21-15)12-16(14)22-17(23-18)13-5-9-20-10-6-13/h3-6,8-10,21H,7,11-12H2,1-2H3.

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

[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 56863729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).