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

C7H7N3O2 — CID 175727554

IUPAC2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one
SMILESCC1NC(=O)c2cncnc2O1
InChIInChI=1S/C7H7N3O2/c1-4-10-6(11)5-2-8-3-9-7(5)12-4/h2-4H,1H3,(H,10,11)
InChIKeyRKHLTCHTDQYCMN-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.06
Rot. Bonds

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

2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one (PubChem CID 175727554) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one
PubChem CID175727554
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one
SMILESCC1NC(=O)c2cncnc2O1
InChIInChI=1S/C7H7N3O2/c1-4-10-6(11)5-2-8-3-9-7(5)12-4/h2-4H,1H3,(H,10,11)
InChIKeyRKHLTCHTDQYCMN-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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8,8-dimethyl-7,7-dioxopyrimido[5,4-d]thiazin-5-one
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1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
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(5S,6S)-5,6-dimethylpiperazine-2,3-dione
CID 162361681
6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone
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(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
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pyrazolo[3,4-d]pyrimidin-3-one
CID 66667981
1,2-dihydro-[1,3]thiazolo[5,4-d]pyrimidin-2-ol
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CID 143285060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one?
The IUPAC name of 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one (CID 175727554) is 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one.
What is the SMILES notation for 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one?
The canonical SMILES for 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one is CC1NC(=O)c2cncnc2O1.
What is the InChIKey of 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one?
The InChIKey is RKHLTCHTDQYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-10-6(11)5-2-8-3-9-7(5)12-4/h2-4H,1H3,(H,10,11).
What are the key properties of 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one?
2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one has a molecular weight of 165.15 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydropyrimido[5,4-e][1,3]oxazin-4-one is sourced from PubChem (CID 175727554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).