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

C10H10ClF2N3O — CID 118246394

IUPAC2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
SMILESCN1c2nc(Cl)ncc2OCC12CC(F)(F)C2
InChIInChI=1S/C10H10ClF2N3O/c1-16-7-6(2-14-8(11)15-7)17-5-9(16)3-10(12,13)4-9/h2H,3-5H2,1H3
InChIKeyGNJWTDOLOJRQEP-UHFFFAOYSA-N
MW261.66 g/mol
LogP2.13
Rot. Bonds

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

2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] (PubChem CID 118246394) has the molecular formula C10H10ClF2N3O and a molecular weight of 261.66 g/mol. Its IUPAC name is 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane].

Molecular Properties

Compound Name2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
PubChem CID118246394
Molecular FormulaC10H10ClF2N3O
Molecular Weight261.66 g/mol
Exact Mass261.05
IUPAC Name2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
SMILESCN1c2nc(Cl)ncc2OCC12CC(F)(F)C2
InChIInChI=1S/C10H10ClF2N3O/c1-16-7-6(2-14-8(11)15-7)17-5-9(16)3-10(12,13)4-9/h2H,3-5H2,1H3
InChIKeyGNJWTDOLOJRQEP-UHFFFAOYSA-N
XLogP2.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-Chloro-5-((1-(2-ethyl-2-fluorobutyl)piperidin-4-yl)methoxy)pyrimidine
CID 90017722
2-Chloro-5-((1-(2-fluoro-2-methylpropyl)piperidin-4-yl)methoxy)pyrimidine
CID 90018951
2-Chloro-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 118054988
2-Chloro-8-methyl-7-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 118246171
2-Chloro-8-methyl-7-(trifluoromethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 118246179
(6S)-12-chloro-4,4-difluoro-8-oxa-2,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 118246281
2-chloro-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 118246309
2-Chloro-7-(4,4-difluorocyclohexyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 118246371
2-Chloro-7-(3,3-difluorocyclobutyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 118246375
2-Chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 118246381
12-Chloro-4,4-difluoro-8-oxa-2,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 118246399
2-Chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
CID 118246423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The IUPAC name of 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] (CID 118246394) is 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane].
What is the SMILES notation for 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The canonical SMILES for 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] is CN1c2nc(Cl)ncc2OCC12CC(F)(F)C2.
What is the InChIKey of 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The InChIKey is GNJWTDOLOJRQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N3O/c1-16-7-6(2-14-8(11)15-7)17-5-9(16)3-10(12,13)4-9/h2H,3-5H2,1H3.
What are the key properties of 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] has a molecular weight of 261.66 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] is sourced from PubChem (CID 118246394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).