1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine

C12H16ClF3N4 — CID 114562722

IUPAC1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(C(F)(F)F)nc(Cl)n2)C1
InChIInChI=1S/C12H16ClF3N4/c1-19(2)8-4-3-5-20(7-8)10-6-9(12(14,15)16)17-11(13)18-10/h6,8H,3-5,7H2,1-2H3
InChIKeyRNWMOLXNYMGTKT-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.68
Rot. Bonds2

About 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine

1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 114562722) has the molecular formula C12H16ClF3N4 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID114562722
Molecular FormulaC12H16ClF3N4
Molecular Weight308.74 g/mol
Exact Mass308.10
IUPAC Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(C(F)(F)F)nc(Cl)n2)C1
InChIInChI=1S/C12H16ClF3N4/c1-19(2)8-4-3-5-20(7-8)10-6-9(12(14,15)16)17-11(13)18-10/h6,8H,3-5,7H2,1-2H3
InChIKeyRNWMOLXNYMGTKT-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine (CID 114562722) is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2cc(C(F)(F)F)nc(Cl)n2)C1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is RNWMOLXNYMGTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4/c1-19(2)8-4-3-5-20(7-8)10-6-9(12(14,15)16)17-11(13)18-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine?
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 308.74 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 114562722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).