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

C7H7N3O2 — CID 152726157

IUPAC4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCC1OC(=O)Nc2ncncc21
InChIInChI=1S/C7H7N3O2/c1-4-5-2-8-3-9-6(5)10-7(11)12-4/h2-4H,1H3,(H,8,9,10,11)
InChIKeyZWQIMLBBYUELEE-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.10
Rot. Bonds

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

4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 152726157) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID152726157
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCC1OC(=O)Nc2ncncc21
InChIInChI=1S/C7H7N3O2/c1-4-5-2-8-3-9-6(5)10-7(11)12-4/h2-4H,1H3,(H,8,9,10,11)
InChIKeyZWQIMLBBYUELEE-UHFFFAOYSA-N
XLogP1.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-iodo-4-(trifluoromethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178042079
1-Pyrimidin-5-ylethyl carbamate
CID 69192211
1,7-dimethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 121388808
7-chloro-1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 122637069
7-Chloro-1H-pyrimido[4,5-d][1,3]oxazin-2(4H)-one
CID 122637436
7-(Methylthio)-1,4-dihydro-2H-pyrimido[4,5-D][1,3]oxazin-2-one
CID 126508487
1,4-Dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 126508650
7-Methylsulfinyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 135142299
4,4-dimethyl-1H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 140615612
4-(2-Methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 145240077
7-methyl-1-sulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 146442663
1-methyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 150100417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (CID 152726157) is 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is CC1OC(=O)Nc2ncncc21.
What is the InChIKey of 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is ZWQIMLBBYUELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-5-2-8-3-9-6(5)10-7(11)12-4/h2-4H,1H3,(H,8,9,10,11).
What are the key properties of 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 165.15 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 152726157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).