6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C18H21N7O4 — CID 67307437

About 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307437) has the molecular formula C18H21N7O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

• Compound Name: 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
• PubChem CID: 67307437
• Molecular Formula: C18H21N7O4
• Molecular Weight: 399.41 g/mol
• Exact Mass: 399.17
• IUPAC Name: 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
• SMILES: Cn1c(=O)c2nc(OCCN3CCOCC3)nnc2n(Cc2cccnc2)c1=O
• InChI: InChI=1S/C18H21N7O4/c1-23-16(26)14-15(25(18(23)27)12-13-3-2-4-19-11-13)21-22-17(20-14)29-10-7-24-5-8-28-9-6-24/h2-4,11H,5-10,12H2,1H3
• InChIKey: NDRPLPPNFJIANQ-UHFFFAOYSA-N
• XLogP: -0.96
• TPSA: 117.26 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.41
LogP ≤ 5	-0.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?

The IUPAC name of 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307437) is 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

What is the SMILES notation for 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?

The canonical SMILES for 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(OCCN3CCOCC3)nnc2n(Cc2cccnc2)c1=O.

What is the InChIKey of 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?

The InChIKey is NDRPLPPNFJIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O4/c1-23-16(26)14-15(25(18(23)27)12-13-3-2-4-19-11-13)21-22-17(20-14)29-10-7-24-5-8-28-9-6-24/h2-4,11H,5-10,12H2,1H3.

What are the key properties of 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?

6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 399.41 g/mol, XLogP of -0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).