7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one

C11H13N3O — CID 164757976

IUPAC7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one
SMILESCC(C)c1ncnc2cn(C)c(=O)cc12
InChIInChI=1S/C11H13N3O/c1-7(2)11-8-4-10(15)14(3)5-9(8)12-6-13-11/h4-7H,1-3H3
InChIKeyWNWIPBGDVOSHND-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.45
Rot. Bonds1

About 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one

7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one (PubChem CID 164757976) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one
PubChem CID164757976
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one
SMILESCC(C)c1ncnc2cn(C)c(=O)cc12
InChIInChI=1S/C11H13N3O/c1-7(2)11-8-4-10(15)14(3)5-9(8)12-6-13-11/h4-7H,1-3H3
InChIKeyWNWIPBGDVOSHND-UHFFFAOYSA-N
XLogP1.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one?
The IUPAC name of 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one (CID 164757976) is 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one?
The canonical SMILES for 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one is CC(C)c1ncnc2cn(C)c(=O)cc12.
What is the InChIKey of 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one?
The InChIKey is WNWIPBGDVOSHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)11-8-4-10(15)14(3)5-9(8)12-6-13-11/h4-7H,1-3H3.
What are the key properties of 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one?
7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one has a molecular weight of 203.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 164757976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).