10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one

C10H14N2O2 — CID 141178210

IUPAC10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one
SMILESCC1(C)COCCn2c1nccc2=O
InChIInChI=1S/C10H14N2O2/c1-10(2)7-14-6-5-12-8(13)3-4-11-9(10)12/h3-4H,5-7H2,1-2H3
InChIKeyLGCYIHCCRKADAR-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.55
Rot. Bonds

About 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one

10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one (PubChem CID 141178210) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one.

Molecular Properties

Compound Name10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one
PubChem CID141178210
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one
SMILESCC1(C)COCCn2c1nccc2=O
InChIInChI=1S/C10H14N2O2/c1-10(2)7-14-6-5-12-8(13)3-4-11-9(10)12/h3-4H,5-7H2,1-2H3
InChIKeyLGCYIHCCRKADAR-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one?
The IUPAC name of 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one (CID 141178210) is 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one.
What is the SMILES notation for 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one?
The canonical SMILES for 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one is CC1(C)COCCn2c1nccc2=O.
What is the InChIKey of 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one?
The InChIKey is LGCYIHCCRKADAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2)7-14-6-5-12-8(13)3-4-11-9(10)12/h3-4H,5-7H2,1-2H3.
What are the key properties of 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one?
10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-7,9-dihydro-6H-pyrimido[1,2-d][1,4]oxazepin-4-one is sourced from PubChem (CID 141178210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).