[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine

C9H11F3N4O — CID 122456079

IUPAC[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine
SMILESNCc1cc(N2CC(OC(F)(F)F)C2)ncn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)17-7-3-16(4-7)8-1-6(2-13)14-5-15-8/h1,5,7H,2-4,13H2
InChIKeyRMLWMZVYDSWKLI-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.66
Rot. Bonds3

About [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine

[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine (PubChem CID 122456079) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine
PubChem CID122456079
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine
SMILESNCc1cc(N2CC(OC(F)(F)F)C2)ncn1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)17-7-3-16(4-7)8-1-6(2-13)14-5-15-8/h1,5,7H,2-4,13H2
InChIKeyRMLWMZVYDSWKLI-UHFFFAOYSA-N
XLogP0.66
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 164629913
4-Morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 83398233
6-methyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 90245654
6-methyl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
CID 117685707
6-methyl-N-[1-[(2S)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine
CID 118549810
6-methyl-N-[1-[(2R)-1,1,1-trifluoropropan-2-yl]azetidin-3-yl]pyrimidin-4-amine
CID 118549819
N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine
CID 123523312
6-methyl-N-[1-(1,1,1-trifluoropropan-2-yl)azetidin-3-yl]pyrimidin-4-amine
CID 123928574
4-[4-(3,3-Difluoroazetidin-1-yl)-6-methylpyrimidin-2-yl]morpholine
CID 132023369
N-[[2-cyclopropyl-6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methyl]formamide
CID 139564069
2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
CID 141316572
1-[[2-(Trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
CID 141341986

Frequently Asked Questions

What is the IUPAC name of [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine?
The IUPAC name of [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine (CID 122456079) is [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine is NCc1cc(N2CC(OC(F)(F)F)C2)ncn1.
What is the InChIKey of [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine?
The InChIKey is RMLWMZVYDSWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)17-7-3-16(4-7)8-1-6(2-13)14-5-15-8/h1,5,7H,2-4,13H2.
What are the key properties of [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine?
[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine has a molecular weight of 248.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 122456079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).