1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]

C11H13F2N3O — CID 162595848

IUPAC1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
SMILESCc1ncc2c(n1)N(C)C1(CO2)CC(F)(F)C1
InChIInChI=1S/C11H13F2N3O/c1-7-14-3-8-9(15-7)16(2)10(6-17-8)4-11(12,13)5-10/h3H,4-6H2,1-2H3
InChIKeyGEZSRVFJIJGXNF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.78
Rot. Bonds

About 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]

1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] (PubChem CID 162595848) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane].

Molecular Properties

Compound Name1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
PubChem CID162595848
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
SMILESCc1ncc2c(n1)N(C)C1(CO2)CC(F)(F)C1
InChIInChI=1S/C11H13F2N3O/c1-7-14-3-8-9(15-7)16(2)10(6-17-8)4-11(12,13)5-10/h3H,4-6H2,1-2H3
InChIKeyGEZSRVFJIJGXNF-UHFFFAOYSA-N
XLogP1.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The IUPAC name of 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] (CID 162595848) is 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane].
What is the SMILES notation for 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The canonical SMILES for 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] is Cc1ncc2c(n1)N(C)C1(CO2)CC(F)(F)C1.
What is the InChIKey of 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The InChIKey is GEZSRVFJIJGXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-7-14-3-8-9(15-7)16(2)10(6-17-8)4-11(12,13)5-10/h3H,4-6H2,1-2H3.
What are the key properties of 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] has a molecular weight of 241.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] is sourced from PubChem (CID 162595848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).