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

C11H14ClN3O2 — CID 118246408

IUPAC2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]
SMILESCN1c2nc(Cl)ncc2OCC12CCOCC2
InChIInChI=1S/C11H14ClN3O2/c1-15-9-8(6-13-10(12)14-9)17-7-11(15)2-4-16-5-3-11/h6H,2-5,7H2,1H3
InChIKeyVUFJPMKNFUFRDR-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.51
Rot. Bonds

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

2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane] (PubChem CID 118246408) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane].

Molecular Properties

Compound Name2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]
PubChem CID118246408
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]
SMILESCN1c2nc(Cl)ncc2OCC12CCOCC2
InChIInChI=1S/C11H14ClN3O2/c1-15-9-8(6-13-10(12)14-9)17-7-11(15)2-4-16-5-3-11/h6H,2-5,7H2,1H3
InChIKeyVUFJPMKNFUFRDR-UHFFFAOYSA-N
XLogP1.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-chloro-1',1'-difluoro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
CID 118246394
2-Chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
CID 118246423
tert-butyl 2-chloro-1',1'-difluorospiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]-8-carboxylate
CID 118246424
2-chloro-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]
CID 118246439
2-Chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane];hydrochloride
CID 126569333
1',1'-difluoro-2,8-dimethylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
CID 162595848

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]?
The IUPAC name of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane] (CID 118246408) is 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane].
What is the SMILES notation for 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]?
The canonical SMILES for 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane] is CN1c2nc(Cl)ncc2OCC12CCOCC2.
What is the InChIKey of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]?
The InChIKey is VUFJPMKNFUFRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-15-9-8(6-13-10(12)14-9)17-7-11(15)2-4-16-5-3-11/h6H,2-5,7H2,1H3.
What are the key properties of 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]?
2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane] has a molecular weight of 255.70 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane] is sourced from PubChem (CID 118246408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).