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

C12H17F3N4 — CID 80847240

IUPAC2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N4/c1-7-10(16)17-8(2)18-11(7)19-5-3-9(4-6-19)12(13,14)15/h9H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyWZTUGAMGDLHQTO-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.45
Rot. Bonds1

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

2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80847240) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80847240
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H17F3N4/c1-7-10(16)17-8(2)18-11(7)19-5-3-9(4-6-19)12(13,14)15/h9H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyWZTUGAMGDLHQTO-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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Related Compounds

N,2-dicyclopropyl-5-methyl-6-(4-methyl-1-piperidinyl)-4-pyrimidinamine
CID 10236397
N,2-dicyclopropyl-5-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4-amine
CID 44409462
N,2-dicyclopropyl-6-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409463
N,2-dicyclopropyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409651
1-(2-Cyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimidin-4-yl)azepane
CID 44430456
5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 154815493
5-Fluoro-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 57013885
2-Tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)-5-methanimidoylpyrimidin-4-amine
CID 129044824
5-Fluoro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 138511135
5-fluoro-6-[(4R)-4-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 138511178
5-Fluoro-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 138511315
5-fluoro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 138511335

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80847240) is 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is Cc1nc(N)c(C)c(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is WZTUGAMGDLHQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-7-10(16)17-8(2)18-11(7)19-5-3-9(4-6-19)12(13,14)15/h9H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 2,5-dimethyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
2,5-dimethyl-6-[4-(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-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80847240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).