N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine

C9H11F3N4 — CID 121184370

IUPACN-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)CN1CC(Nc2ncccn2)C1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)6-16-4-7(5-16)15-8-13-2-1-3-14-8/h1-3,7H,4-6H2,(H,13,14,15)
InChIKeyXSFHIMFXCZCSTN-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.13
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine

N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine (PubChem CID 121184370) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine
PubChem CID121184370
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC NameN-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine
SMILESFC(F)(F)CN1CC(Nc2ncccn2)C1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)6-16-4-7(5-16)15-8-13-2-1-3-14-8/h1-3,7H,4-6H2,(H,13,14,15)
InChIKeyXSFHIMFXCZCSTN-UHFFFAOYSA-N
XLogP1.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
CID 84652953
ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine
CID 144986362
N-cyclobutylpyrimidin-2-amine
CID 45080152
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 146079533
N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-2-amine
CID 126987855
N-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]pyrimidin-2-amine
CID 121184377
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184363
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
(3S)-N-[(R)-phenyl(pyridin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 97230742
4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 118362521

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine (CID 121184370) is N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine is FC(F)(F)CN1CC(Nc2ncccn2)C1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine?
The InChIKey is XSFHIMFXCZCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)6-16-4-7(5-16)15-8-13-2-1-3-14-8/h1-3,7H,4-6H2,(H,13,14,15).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine?
N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine has a molecular weight of 232.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121184370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).