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

C11H13ClF3N3O — CID 114096245

IUPAC2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1OCCC1(C)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-6-10(2,3-4-19-6)18-8-5-7(11(13,14)15)16-9(12)17-8/h5-6H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyWKRHRUMFKBLXAB-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.13
Rot. Bonds2

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

2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114096245) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114096245
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1OCCC1(C)Nc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H13ClF3N3O/c1-6-10(2,3-4-19-6)18-8-5-7(11(13,14)15)16-9(12)17-8/h5-6H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyWKRHRUMFKBLXAB-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 114562559
6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine
CID 114096228
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114630384
4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 114562791
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 114219697
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114174544
2-chloro-N-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 115649807
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240
6-chloro-2-[(2,3-dimethyloxolan-3-yl)amino]pyridine-3-carboxylic acid
CID 114096139
2-chloro-N-(2-chloro-4-methylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114096245) is 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine is CC1OCCC1(C)Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WKRHRUMFKBLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-6-10(2,3-4-19-6)18-8-5-7(11(13,14)15)16-9(12)17-8/h5-6H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 295.69 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114096245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).