[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone

C21H25N5O — CID 95711850

About [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone

[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone (PubChem CID 95711850) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone.

Molecular Properties

• Compound Name: [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone
• PubChem CID: 95711850
• Molecular Formula: C21H25N5O
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.21
• IUPAC Name: [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone
• SMILES: CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H]1CC13CCC3)C2
• InChI: InChI=1S/C21H25N5O/c1-25(2)19-15-6-11-26(20(27)16-12-21(16)7-3-8-21)13-17(15)23-18(24-19)14-4-9-22-10-5-14/h4-5,9-10,16H,3,6-8,11-13H2,1-2H3/t16-/m0/s1
• InChIKey: MVXMMTAXYXVKQU-INIZCTEOSA-N
• XLogP: 2.68
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
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]-[(2R)-spiro[2.3]hexan-2-yl]methanone?

The IUPAC name of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone (CID 95711850) is [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-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]-[(2R)-spiro[2.3]hexan-2-yl]methanone?

The canonical SMILES for [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone is CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H]1CC13CCC3)C2.

What is the InChIKey of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone?

The InChIKey is MVXMMTAXYXVKQU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(2)19-15-6-11-26(20(27)16-12-21(16)7-3-8-21)13-17(15)23-18(24-19)14-4-9-22-10-5-14/h4-5,9-10,16H,3,6-8,11-13H2,1-2H3/t16-/m0/s1.

What are the key properties of [4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone?

[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(2R)-spiro[2.3]hexan-2-yl]methanone has a molecular weight of 363.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 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]-[(2R)-spiro[2.3]hexan-2-yl]methanone is sourced from PubChem (CID 95711850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).