6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one

C7H9N3O3 — CID 167219922

IUPAC6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one
SMILESCN1c2c(nc[nH]c2=O)OCC1O
InChIInChI=1S/C7H9N3O3/c1-10-4(11)2-13-7-5(10)6(12)8-3-9-7/h3-4,11H,2H2,1H3,(H,8,9,12)
InChIKeyCLNOSXVASWHEMC-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.08
Rot. Bonds

About 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one

6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one (PubChem CID 167219922) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one
PubChem CID167219922
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one
SMILESCN1c2c(nc[nH]c2=O)OCC1O
InChIInChI=1S/C7H9N3O3/c1-10-4(11)2-13-7-5(10)6(12)8-3-9-7/h3-4,11H,2H2,1H3,(H,8,9,12)
InChIKeyCLNOSXVASWHEMC-UHFFFAOYSA-N
XLogP-1.08
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one?
The IUPAC name of 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one (CID 167219922) is 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one.
What is the SMILES notation for 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one?
The canonical SMILES for 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one is CN1c2c(nc[nH]c2=O)OCC1O.
What is the InChIKey of 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one?
The InChIKey is CLNOSXVASWHEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10-4(11)2-13-7-5(10)6(12)8-3-9-7/h3-4,11H,2H2,1H3,(H,8,9,12).
What are the key properties of 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one?
6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one has a molecular weight of 183.17 g/mol, XLogP of -1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-6,7-dihydro-3H-pyrimido[4,5-b][1,4]oxazin-4-one is sourced from PubChem (CID 167219922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).