6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H15F3N4 — CID 106771328

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4/c1-16-9-5-10(18-11(17-9)12(13,14)15)19-6-7-2-3-8(19)4-7/h5,7-8H,2-4,6H2,1H3,(H,16,17,18)
InChIKeyZWXKWSNLFORLQP-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.53
Rot. Bonds2

About 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106771328) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106771328
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N4/c1-16-9-5-10(18-11(17-9)12(13,14)15)19-6-7-2-3-8(19)4-7/h5,7-8H,2-4,6H2,1H3,(H,16,17,18)
InChIKeyZWXKWSNLFORLQP-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775519
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771326
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 106769882
(1S,4R)-2-[5-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[2.2.1]heptane
CID 144513339
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine
CID 80805296
6-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773251
6-(4,5-dimethylimidazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773488
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771800
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80961686

Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106771328) is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZWXKWSNLFORLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-16-9-5-10(18-11(17-9)12(13,14)15)19-6-7-2-3-8(19)4-7/h5,7-8H,2-4,6H2,1H3,(H,16,17,18).
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 272.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106771328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).