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

C18H16N6O2 — CID 155870665

IUPAC1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
SMILESCn1c(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)cccc1=O
InChIInChI=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
InChIKeyDWMPQOJQSYDCJQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP0.83
Rot. Bonds2

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 Name1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
PubChem CID155870665
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name1-methyl-6-(4-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)pyridin-2-one
SMILESCn1c(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)cccc1=O
InChIInChI=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
InChIKeyDWMPQOJQSYDCJQ-UHFFFAOYSA-N
XLogP0.83
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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).