6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one

C9H9N3O — CID 135783855

IUPAC6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]cnc2c(C)n1
InChIInChI=1S/C9H9N3O/c1-5-3-7-8(6(2)12-5)10-4-11-9(7)13/h3-4H,1-2H3,(H,10,11,13)
InChIKeyPGNRDTFWLSHMOG-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.93
Rot. Bonds

About 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one

6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 135783855) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID135783855
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]cnc2c(C)n1
InChIInChI=1S/C9H9N3O/c1-5-3-7-8(6(2)12-5)10-4-11-9(7)13/h3-4H,1-2H3,(H,10,11,13)
InChIKeyPGNRDTFWLSHMOG-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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Related Compounds

6,7,8-trimethyl-3H-quinazolin-4-one
CID 137284029
8-bromo-6-methyl-3H-quinazolin-4-one
CID 135743687
6-bromo-7-methyl-8-nitro-3H-quinazolin-4-one
CID 135894579
6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
CID 155354014
5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135408240
6-fluoro-8-methoxy-3H-quinazolin-4-one
CID 136677465
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
CID 167090428
11-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 135453712
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
8-(5-bromo-2-methyl-3-pyridinyl)-3H-quinazolin-4-one
CID 142793210

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one (CID 135783855) is 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]cnc2c(C)n1.
What is the InChIKey of 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PGNRDTFWLSHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-3-7-8(6(2)12-5)10-4-11-9(7)13/h3-4H,1-2H3,(H,10,11,13).
What are the key properties of 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one?
6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-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 6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135783855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).