6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H17F3N4 — CID 106773226

IUPAC6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1C
InChIInChI=1S/C12H17F3N4/c1-7-3-4-19(6-8(7)2)10-5-9(16)17-11(18-10)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H2,16,17,18)
InChIKeyPCXCIVIXUBHIRD-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.56
Rot. Bonds1

About 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773226) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773226
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1C
InChIInChI=1S/C12H17F3N4/c1-7-3-4-19(6-8(7)2)10-5-9(16)17-11(18-10)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H2,16,17,18)
InChIKeyPCXCIVIXUBHIRD-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771344
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
2-(trifluoromethyl)-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 106771626
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 106772473
7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106772418
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 106773361
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107460198
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772695

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773226) is 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1C.
What is the InChIKey of 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PCXCIVIXUBHIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-3-4-19(6-8(7)2)10-5-9(16)17-11(18-10)12(13,14)15/h5,7-8H,3-4,6H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).