3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one

C8H7N3O2 — CID 542016

IUPAC3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cccnc2c(=O)n1O
InChIInChI=1S/C8H7N3O2/c1-5-10-6-3-2-4-9-7(6)8(12)11(5)13/h2-4,13H,1H3
InChIKeyGWWRXYYWBYRCLI-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.34
Rot. Bonds

About 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one

3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 542016) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID542016
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cccnc2c(=O)n1O
InChIInChI=1S/C8H7N3O2/c1-5-10-6-3-2-4-9-7(6)8(12)11(5)13/h2-4,13H,1H3
InChIKeyGWWRXYYWBYRCLI-UHFFFAOYSA-N
XLogP0.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

Picolinohydroxamic acid
CID 147399
3H,4H-pyrido(3,2-d)pyrimidin-4-one
CID 135703334
N-Methoxy-N-methylpicolinamide
CID 11829796
2-Methylpyrido[3,2-d]pyrimidin-4(3H)-one
CID 135703359
3-Amino-pyridine-2-carboxylic acid amide
CID 13238725
N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide
CID 137091091
3-Hydroxypyrido(3,2-d)pyrimidine-2,4(1H,3H)-dione
CID 303852
Picolinohydroxamic acid, N-methyl-
CID 150290
2-Methyl-3-(2-methylphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 44280385
2-Methyl-3-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 44280405
2-Methyl-3-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 44280409
2-Methyl-3-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 44280410

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one (CID 542016) is 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one is Cc1nc2cccnc2c(=O)n1O.
What is the InChIKey of 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is GWWRXYYWBYRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-10-6-3-2-4-9-7(6)8(12)11(5)13/h2-4,13H,1H3.
What are the key properties of 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one?
3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 177.16 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 542016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).