6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one

C8H10N2O2 — CID 154460624

IUPAC6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
SMILESO=c1ccnc2n1CCOCC2
InChIInChI=1S/C8H10N2O2/c11-8-1-3-9-7-2-5-12-6-4-10(7)8/h1,3H,2,4-6H2
InChIKeyJWWZWIJAIASOGQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.18
Rot. Bonds

About 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one

6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one (PubChem CID 154460624) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one.

Molecular Properties

Compound Name6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
PubChem CID154460624
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
SMILESO=c1ccnc2n1CCOCC2
InChIInChI=1S/C8H10N2O2/c11-8-1-3-9-7-2-5-12-6-4-10(7)8/h1,3H,2,4-6H2
InChIKeyJWWZWIJAIASOGQ-UHFFFAOYSA-N
XLogP-0.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-oxazepan-3-yl)-1H-pyrimidin-6-one
CID 67283090
3-Hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
CID 141178196
10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one
CID 141178210
4-Oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 154512106

Frequently Asked Questions

What is the IUPAC name of 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The IUPAC name of 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one (CID 154460624) is 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one.
What is the SMILES notation for 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The canonical SMILES for 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one is O=c1ccnc2n1CCOCC2.
What is the InChIKey of 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The InChIKey is JWWZWIJAIASOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-8-1-3-9-7-2-5-12-6-4-10(7)8/h1,3H,2,4-6H2.
What are the key properties of 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one has a molecular weight of 166.18 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one is sourced from PubChem (CID 154460624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).