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

C8H10N2O3 — CID 141178196

IUPAC3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
SMILESO=c1c(O)cnc2n1CCOCC2
InChIInChI=1S/C8H10N2O3/c11-6-5-9-7-1-3-13-4-2-10(7)8(6)12/h5,11H,1-4H2
InChIKeyVFNAOSQMDRTVRQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.48
Rot. Bonds

About 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one

3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one (PubChem CID 141178196) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one.

Molecular Properties

Compound Name3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
PubChem CID141178196
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
SMILESO=c1c(O)cnc2n1CCOCC2
InChIInChI=1S/C8H10N2O3/c11-6-5-9-7-1-3-13-4-2-10(7)8(6)12/h5,11H,1-4H2
InChIKeyVFNAOSQMDRTVRQ-UHFFFAOYSA-N
XLogP-0.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The IUPAC name of 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one (CID 141178196) is 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one.
What is the SMILES notation for 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The canonical SMILES for 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one is O=c1c(O)cnc2n1CCOCC2.
What is the InChIKey of 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The InChIKey is VFNAOSQMDRTVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6-5-9-7-1-3-13-4-2-10(7)8(6)12/h5,11H,1-4H2.
What are the key properties of 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one has a molecular weight of 182.18 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one is sourced from PubChem (CID 141178196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).