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

C12H15ClF3N3O — CID 106768215

IUPAC6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2cc(Cl)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C12H15ClF3N3O/c1-11(2)6-7(3-4-20-11)17-9-5-8(13)18-10(19-9)12(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyKROGJOYZPHXOAG-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.52
Rot. Bonds2

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

6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106768215) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106768215
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2cc(Cl)nc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C12H15ClF3N3O/c1-11(2)6-7(3-4-20-11)17-9-5-8(13)18-10(19-9)12(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyKROGJOYZPHXOAG-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106768215) is 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC1(C)CC(Nc2cc(Cl)nc(C(F)(F)F)n2)CCO1.
What is the InChIKey of 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KROGJOYZPHXOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-11(2)6-7(3-4-20-11)17-9-5-8(13)18-10(19-9)12(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 309.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106768215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).