N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C8H8F3N3O — CID 144655664

IUPACN-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(NC2COC2)n1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7-12-2-1-6(14-7)13-5-3-15-4-5/h1-2,5H,3-4H2,(H,12,13,14)
InChIKeyGLWLBGIPLPPKOH-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.31
Rot. Bonds2

About N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine

N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 144655664) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID144655664
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(NC2COC2)n1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7-12-2-1-6(14-7)13-5-3-15-4-5/h1-2,5H,3-4H2,(H,12,13,14)
InChIKeyGLWLBGIPLPPKOH-UHFFFAOYSA-N
XLogP1.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
2-(Methoxymethyl)pyrimidin-4-amine
CID 53407629
2-[(2-Chloropyrimidin-4-yl)amino]ethanol
CID 4737628
(2S)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405683
2-(Morpholin-4-yl)pyrimidin-4-amine
CID 20228619
N4-(3-morpholinopropyl)pyrimidine-2,4-diamine
CID 459842
4-[2-(Trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
CID 56861746
N-[1-(morpholin-4-yl)propan-2-yl]pyrimidin-4-amine
CID 61504371
N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72869990
(2R)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405684
2-[(1S)-1-[2-ethoxyethyl(methyl)amino]ethyl]pyrimidin-4-amine
CID 125535677
2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine
CID 126787185

Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 144655664) is N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nccc(NC2COC2)n1.
What is the InChIKey of N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GLWLBGIPLPPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)7-12-2-1-6(14-7)13-5-3-15-4-5/h1-2,5H,3-4H2,(H,12,13,14).
What are the key properties of N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 219.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 144655664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).