2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C12H17F3N4 — CID 80846717

IUPAC2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4/c1-7-10(16)17-8(2)18-11(7)19-5-3-4-9(6-19)12(13,14)15/h9H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyACMOGVMOWPIBAU-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.45
Rot. Bonds1

About 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80846717) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80846717
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4/c1-7-10(16)17-8(2)18-11(7)19-5-3-4-9(6-19)12(13,14)15/h9H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyACMOGVMOWPIBAU-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80846717) is 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is Cc1nc(N)c(C)c(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ACMOGVMOWPIBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-10(16)17-8(2)18-11(7)19-5-3-4-9(6-19)12(13,14)15/h9H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80846717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).