6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H16ClF3N4 — CID 106768214

IUPAC6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCCC(C)N1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16ClF3N4/c1-7-4-3-5-8(2)20(7)19-10-6-9(13)17-11(18-10)12(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyREBADWUONBWPON-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.74
Rot. Bonds2

About 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106768214) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106768214
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCCC(C)N1Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16ClF3N4/c1-7-4-3-5-8(2)20(7)19-10-6-9(13)17-11(18-10)12(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyREBADWUONBWPON-UHFFFAOYSA-N
XLogP3.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106768214) is 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC1CCCC(C)N1Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is REBADWUONBWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4/c1-7-4-3-5-8(2)20(7)19-10-6-9(13)17-11(18-10)12(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 308.74 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106768214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).