2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C11H11ClF3N3O — CID 118246381

IUPAC2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11ClF3N3O/c1-18-7(10(2-3-10)11(13,14)15)5-19-6-4-16-9(12)17-8(6)18/h4,7H,2-3,5H2,1H3
InChIKeyMRJCEPWONZWYEI-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.67
Rot. Bonds1

About 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine

2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 118246381) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
PubChem CID118246381
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
SMILESCN1c2nc(Cl)ncc2OCC1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H11ClF3N3O/c1-18-7(10(2-3-10)11(13,14)15)5-19-6-4-16-9(12)17-8(6)18/h4,7H,2-3,5H2,1H3
InChIKeyMRJCEPWONZWYEI-UHFFFAOYSA-N
XLogP2.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The IUPAC name of 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 118246381) is 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine.
What is the SMILES notation for 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The canonical SMILES for 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine is CN1c2nc(Cl)ncc2OCC1C1(C(F)(F)F)CC1.
What is the InChIKey of 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
The InChIKey is MRJCEPWONZWYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c1-18-7(10(2-3-10)11(13,14)15)5-19-6-4-16-9(12)17-8(6)18/h4,7H,2-3,5H2,1H3.
What are the key properties of 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?
2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 293.68 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-7-[1-(trifluoromethyl)cyclopropyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 118246381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).