2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one

C9H9N3O — CID 149062893

IUPAC2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1cnc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C9H9N3O/c1-5-3-7-8(10-4-5)9(13)12-6(2)11-7/h3-4H,1-2H3,(H,11,12,13)
InChIKeyQMEUQILAYYJGQJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.93
Rot. Bonds

About 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one

2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 149062893) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID149062893
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1cnc2c(=O)[nH]c(C)nc2c1
InChIInChI=1S/C9H9N3O/c1-5-3-7-8(10-4-5)9(13)12-6(2)11-7/h3-4H,1-2H3,(H,11,12,13)
InChIKeyQMEUQILAYYJGQJ-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

2,7-dimethyl-3H-pteridin-4-one
CID 135822589
6-bromo-2-methyl-3H-pteridin-4-one
CID 136981391
CID 177158828
CID 177158828
7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178098237
3,8-dimethyl-1,10-phenanthroline
CID 159392628
7-methyl-2-(2-methylpropyl)-4H-pyrido[2,3-b]pyrazin-3-one
CID 132584780
2,5-dimethyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 132588390
5-methyl-2-(4-methylphenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733027
7-methyl-1H-pyrido[3,2-d][1,3]oxazine-2,4-dione
CID 123759693
7-methyl-1H-pyrido[3,2-d]pyrimidin-2-one
CID 170056017

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one (CID 149062893) is 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one is Cc1cnc2c(=O)[nH]c(C)nc2c1.
What is the InChIKey of 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is QMEUQILAYYJGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-3-7-8(10-4-5)9(13)12-6(2)11-7/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one?
2,7-dimethyl-3H-pyrido[3,2-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 2,7-dimethyl-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 149062893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).