1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

C7H7N3O2 — CID 150100417

IUPAC1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCN1C(=O)OCc2cncnc21
InChIInChI=1S/C7H7N3O2/c1-10-6-5(2-8-4-9-6)3-12-7(10)11/h2,4H,3H2,1H3
InChIKeyDVCRDFYUFBZTLD-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.56
Rot. Bonds

About 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 150100417) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID150100417
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCN1C(=O)OCc2cncnc21
InChIInChI=1S/C7H7N3O2/c1-10-6-5(2-8-4-9-6)3-12-7(10)11/h2,4H,3H2,1H3
InChIKeyDVCRDFYUFBZTLD-UHFFFAOYSA-N
XLogP0.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one (CID 150100417) is 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one is CN1C(=O)OCc2cncnc21.
What is the InChIKey of 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is DVCRDFYUFBZTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-10-6-5(2-8-4-9-6)3-12-7(10)11/h2,4H,3H2,1H3.
What are the key properties of 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 165.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 150100417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).