4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C12H17F3N4 — CID 114563976

IUPAC4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H17F3N4/c1-2-8-5-3-4-6-19(8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,2-6H2,1H3,(H2,16,17,18)
InChIKeyDMVIQZXHKOSAQH-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.85
Rot. Bonds2

About 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563976) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563976
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H17F3N4/c1-2-8-5-3-4-6-19(8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,2-6H2,1H3,(H2,16,17,18)
InChIKeyDMVIQZXHKOSAQH-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563976) is 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CCC1CCCCN1c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DMVIQZXHKOSAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-8-5-3-4-6-19(8)10-7-9(12(13,14)15)17-11(16)18-10/h7-8H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).