6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine

C8H9F3N4 — CID 129261237

IUPAC6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C8H9F3N4/c9-8(10,11)5-2-15(3-5)7-1-6(12)13-4-14-7/h1,4-5H,2-3H2,(H2,12,13,14)
InChIKeyIPHGCDOKQMGHAN-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.06
Rot. Bonds1

About 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine

6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine (PubChem CID 129261237) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine
PubChem CID129261237
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C8H9F3N4/c9-8(10,11)5-2-15(3-5)7-1-6(12)13-4-14-7/h1,4-5H,2-3H2,(H2,12,13,14)
InChIKeyIPHGCDOKQMGHAN-UHFFFAOYSA-N
XLogP1.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674394
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
CID 121206002
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
CID 114561957
6-thiomorpholin-4-ylpyrimidin-4-amine
CID 13394191
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]ethanol
CID 121206000
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
6-[3-(dimethylamino)piperidin-1-yl]pyrimidin-4-amine
CID 80856163
(3aS,6aS)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 97377895
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine (CID 129261237) is 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CC(C(F)(F)F)C2)ncn1.
What is the InChIKey of 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine?
The InChIKey is IPHGCDOKQMGHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c9-8(10,11)5-2-15(3-5)7-1-6(12)13-4-14-7/h1,4-5H,2-3H2,(H2,12,13,14).
What are the key properties of 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine?
6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine has a molecular weight of 218.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 129261237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).