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

C17H28N4O — CID 42788543

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

1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one (PubChem CID 42788543) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one
• PubChem CID: 42788543
• Molecular Formula: C17H28N4O
• Molecular Weight: 304.44 g/mol
• Exact Mass: 304.23
• IUPAC Name: 1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one
• SMILES: CCCCCCC(=O)N1CCc2nc(C)nc(N(C)C)c2C1
• InChI: InChI=1S/C17H28N4O/c1-5-6-7-8-9-16(22)21-11-10-15-14(12-21)17(20(3)4)19-13(2)18-15/h5-12H2,1-4H3
• InChIKey: VZBLNAZCTWNKIM-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.44
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one (CID 42788543) is 1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one.

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

The canonical SMILES for 1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one is CCCCCCC(=O)N1CCc2nc(C)nc(N(C)C)c2C1.

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

The InChIKey is VZBLNAZCTWNKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-5-6-7-8-9-16(22)21-11-10-15-14(12-21)17(20(3)4)19-13(2)18-15/h5-12H2,1-4H3.

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

1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one has a molecular weight of 304.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]heptan-1-one is sourced from PubChem (CID 42788543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).