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

C12H17F3N4 — CID 80846934

IUPACN,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC(C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C12H17F3N4/c1-8-17-10(16-2)6-11(18-8)19-5-3-4-9(7-19)12(13,14)15/h6,9H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyLZOMDSSPOJVJSV-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.61
Rot. Bonds2

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

N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80846934) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80846934
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC(C(F)(F)F)C2)nc(C)n1
InChIInChI=1S/C12H17F3N4/c1-8-17-10(16-2)6-11(18-8)19-5-3-4-9(7-19)12(13,14)15/h6,9H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyLZOMDSSPOJVJSV-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80846934) is N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC(C(F)(F)F)C2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is LZOMDSSPOJVJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-8-17-10(16-2)6-11(18-8)19-5-3-4-9(7-19)12(13,14)15/h6,9H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80846934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).