7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H35N5O3 — CID 135719627

About 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719627) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 135719627
• Molecular Formula: C24H35N5O3
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.27
• IUPAC Name: 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: CCN(CC)c1ccc(CN2CCc3c(nc(N4CC(C)OC(C)C4)[nH]c3=O)C2)c(O)c1
• InChI: InChI=1S/C24H35N5O3/c1-5-28(6-2)19-8-7-18(22(30)11-19)14-27-10-9-20-21(15-27)25-24(26-23(20)31)29-12-16(3)32-17(4)13-29/h7-8,11,16-17,30H,5-6,9-10,12-15H2,1-4H3,(H,25,26,31)
• InChIKey: LWMCMKXYLRAPCU-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 84.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719627) is 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCN(CC)c1ccc(CN2CCc3c(nc(N4CC(C)OC(C)C4)[nH]c3=O)C2)c(O)c1.

What is the InChIKey of 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is LWMCMKXYLRAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-5-28(6-2)19-8-7-18(22(30)11-19)14-27-10-9-20-21(15-27)25-24(26-23(20)31)29-12-16(3)32-17(4)13-29/h7-8,11,16-17,30H,5-6,9-10,12-15H2,1-4H3,(H,25,26,31).

What are the key properties of 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 441.58 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(diethylamino)-2-hydroxyphenyl]methyl]-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).