1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one

C18H16N6O2 — CID 155870665

About 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one

1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one (PubChem CID 155870665) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
• PubChem CID: 155870665
• Molecular Formula: C18H16N6O2
• Molecular Weight: 348.37 g/mol
• Exact Mass: 348.13
• IUPAC Name: 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
• SMILES: Cn1c(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)cccc1=O
• InChI: InChI=1S/C18H16N6O2/c1-23-15(3-2-4-16(23)25)18(26)24-6-5-14-13(9-24)17(22-11-21-14)12-7-19-10-20-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3
• InChIKey: DWMPQOJQSYDCJQ-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 93.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.37
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one (CID 155870665) is 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one.

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

The canonical SMILES for 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one is Cn1c(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)cccc1=O.

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

The InChIKey is DWMPQOJQSYDCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-23-15(3-2-4-16(23)25)18(26)24-6-5-14-13(9-24)17(22-11-21-14)12-7-19-10-20-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3.

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

1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one has a molecular weight of 348.37 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one is sourced from PubChem (CID 155870665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).