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

C10H14N2O2 — CID 91072743

IUPAC2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
SMILESCc1nc2n(c(=O)c1C)CCOCC2
InChIInChI=1S/C10H14N2O2/c1-7-8(2)11-9-3-5-14-6-4-12(9)10(7)13/h3-6H2,1-2H3
InChIKeyOETGBSFSAWYLLD-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.43
Rot. Bonds

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

2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one (PubChem CID 91072743) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
PubChem CID91072743
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one
SMILESCc1nc2n(c(=O)c1C)CCOCC2
InChIInChI=1S/C10H14N2O2/c1-7-8(2)11-9-3-5-14-6-4-12(9)10(7)13/h3-6H2,1-2H3
InChIKeyOETGBSFSAWYLLD-UHFFFAOYSA-N
XLogP0.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The IUPAC name of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one (CID 91072743) is 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one.
What is the SMILES notation for 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The canonical SMILES for 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one is Cc1nc2n(c(=O)c1C)CCOCC2.
What is the InChIKey of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
The InChIKey is OETGBSFSAWYLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-8(2)11-9-3-5-14-6-4-12(9)10(7)13/h3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one?
2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepin-4-one is sourced from PubChem (CID 91072743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).