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

C19H25N5O2 — CID 56866999

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

1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one (PubChem CID 56866999) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one
• PubChem CID: 56866999
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one
• SMILES: COC(C)(C)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1
• InChI: InChI=1S/C19H25N5O2/c1-19(2,26-5)18(25)24-10-8-14-15(12-24)21-16(22-17(14)23(3)4)13-7-6-9-20-11-13/h6-7,9,11H,8,10,12H2,1-5H3
• InChIKey: ODMPZLNJTBBIFB-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one (CID 56866999) is 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one.

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

The canonical SMILES for 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1.

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

The InChIKey is ODMPZLNJTBBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-19(2,26-5)18(25)24-10-8-14-15(12-24)21-16(22-17(14)23(3)4)13-7-6-9-20-11-13/h6-7,9,11H,8,10,12H2,1-5H3.

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

1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one has a molecular weight of 355.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 56866999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).