1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone

C20H26N4O2S — CID 42786475

About 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone

1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone (PubChem CID 42786475) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone.

Molecular Properties

• Compound Name: 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone
• PubChem CID: 42786475
• Molecular Formula: C20H26N4O2S
• Molecular Weight: 386.52 g/mol
• Exact Mass: 386.18
• IUPAC Name: 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone
• SMILES: Cc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)Cc1cccs1)CC2
• InChI: InChI=1S/C20H26N4O2S/c1-13-10-24(11-14(2)26-13)20-17-12-23(7-6-18(17)21-15(3)22-20)19(25)9-16-5-4-8-27-16/h4-5,8,13-14H,6-7,9-12H2,1-3H3
• InChIKey: KJKVQICLLOOVLX-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 58.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.52
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone (CID 42786475) is 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone.

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

The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone is Cc1nc2c(c(N3CC(C)OC(C)C3)n1)CN(C(=O)Cc1cccs1)CC2.

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

The InChIKey is KJKVQICLLOOVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-10-24(11-14(2)26-13)20-17-12-23(7-6-18(17)21-15(3)22-20)19(25)9-16-5-4-8-27-16/h4-5,8,13-14H,6-7,9-12H2,1-3H3.

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

1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone has a molecular weight of 386.52 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 42786475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).