6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H11ClF3N3O — CID 106767801

IUPAC6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NC2CCCOC2)n1
InChIInChI=1S/C10H11ClF3N3O/c11-7-4-8(15-6-2-1-3-18-5-6)17-9(16-7)10(12,13)14/h4,6H,1-3,5H2,(H,15,16,17)
InChIKeyNCBKERQMFSOZCD-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.74
Rot. Bonds2

About 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767801) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767801
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NC2CCCOC2)n1
InChIInChI=1S/C10H11ClF3N3O/c11-7-4-8(15-6-2-1-3-18-5-6)17-9(16-7)10(12,13)14/h4,6H,1-3,5H2,(H,15,16,17)
InChIKeyNCBKERQMFSOZCD-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 20561338
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
CID 46738256
(3R)-4-[4-chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 132005438
4-[4-Chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 132008315
4-chloro-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 132207133
Ethyl 4-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-2-carboxylate
CID 139300400
6-chloro-N-[[(2R,6R)-6-methyloxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 139546900
4-[6-Chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine
CID 144739899
(1S,4S)-5-[6-chloro-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.2]octane
CID 154931325
4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 156297303
6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 156297497
4-[[4-Chloro-6-(2,2,6,6-tetrafluoromorpholin-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 169246366

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767801) is 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(NC2CCCOC2)n1.
What is the InChIKey of 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NCBKERQMFSOZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c11-7-4-8(15-6-2-1-3-18-5-6)17-9(16-7)10(12,13)14/h4,6H,1-3,5H2,(H,15,16,17).
What are the key properties of 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 281.67 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).