4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one

C10H11N3O — CID 167049344

IUPAC4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one
SMILESCCc1ncnc2cn(C)c(=O)cc12
InChIInChI=1S/C10H11N3O/c1-3-8-7-4-10(14)13(2)5-9(7)12-6-11-8/h4-6H,3H2,1-2H3
InChIKeyIJAZUPKAWRJNQP-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.89
Rot. Bonds1

About 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one

4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one (PubChem CID 167049344) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one
PubChem CID167049344
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one
SMILESCCc1ncnc2cn(C)c(=O)cc12
InChIInChI=1S/C10H11N3O/c1-3-8-7-4-10(14)13(2)5-9(7)12-6-11-8/h4-6H,3H2,1-2H3
InChIKeyIJAZUPKAWRJNQP-UHFFFAOYSA-N
XLogP0.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one (CID 167049344) is 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one is CCc1ncnc2cn(C)c(=O)cc12.
What is the InChIKey of 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one?
The InChIKey is IJAZUPKAWRJNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-3-8-7-4-10(14)13(2)5-9(7)12-6-11-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one?
4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one has a molecular weight of 189.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methylpyrido[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 167049344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).