4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H19F3N4 — CID 114565345

IUPAC4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(N2CC(C)CCC2C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-8-4-5-9(2)20(7-8)11-6-10(13(14,15)16)18-12(17-3)19-11/h6,8-9H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyNUPZMBBQVBIYOE-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.16
Rot. Bonds2

About 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114565345) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114565345
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(N2CC(C)CCC2C)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-8-4-5-9(2)20(7-8)11-6-10(13(14,15)16)18-12(17-3)19-11/h6,8-9H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyNUPZMBBQVBIYOE-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
4-(2,5-dimethylmorpholin-4-yl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564122
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563756
2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114566037
1-[4-[(2R)-2-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl]-3-propan-2-ylthiourea
CID 125048666
4-(3-ethyl-4-methylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565070
4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
CID 114565375
2-tert-butyl-6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80959965
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830
5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 80847335

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114565345) is 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(N2CC(C)CCC2C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NUPZMBBQVBIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-8-4-5-9(2)20(7-8)11-6-10(13(14,15)16)18-12(17-3)19-11/h6,8-9H,4-5,7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114565345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).