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

C19H24N4O3 — CID 56917026

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

1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one (PubChem CID 56917026) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
• PubChem CID: 56917026
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
• SMILES: Cc1ccccc1OCC(O)C(=O)N1CCc2c(ncnc2N(C)C)C1
• InChI: InChI=1S/C19H24N4O3/c1-13-6-4-5-7-17(13)26-11-16(24)19(25)23-9-8-14-15(10-23)20-12-21-18(14)22(2)3/h4-7,12,16,24H,8-11H2,1-3H3
• InChIKey: FTEYARNMGWUMJT-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 78.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one (CID 56917026) is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one.

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

The canonical SMILES for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one is Cc1ccccc1OCC(O)C(=O)N1CCc2c(ncnc2N(C)C)C1.

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

The InChIKey is FTEYARNMGWUMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-6-4-5-7-17(13)26-11-16(24)19(25)23-9-8-14-15(10-23)20-12-21-18(14)22(2)3/h4-7,12,16,24H,8-11H2,1-3H3.

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

1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one is sourced from PubChem (CID 56917026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).