2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one

C9H9N3O — CID 71377069

IUPAC2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(C)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C9H9N3O/c1-5-8-7(12-6(2)11-5)3-4-10-9(8)13/h3-4H,1-2H3,(H,10,13)
InChIKeyKPIODALWTVIPPD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.93
Rot. Bonds

About 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one

2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 71377069) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID71377069
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(C)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C9H9N3O/c1-5-8-7(12-6(2)11-5)3-4-10-9(8)13/h3-4H,1-2H3,(H,10,13)
InChIKeyKPIODALWTVIPPD-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 71377069) is 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nc(C)c2c(=O)[nH]ccc2n1.
What is the InChIKey of 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KPIODALWTVIPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-8-7(12-6(2)11-5)3-4-10-9(8)13/h3-4H,1-2H3,(H,10,13).
What are the key properties of 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one?
2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 175.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 71377069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).