pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine

C16H19F3N4O — CID 166100756

IUPACpyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine
SMILESFC(F)(F)c1ccc(COC2CCNC2)cc1.Nc1ncccn1
InChIInChI=1S/C12H14F3NO.C4H5N3/c13-12(14,15)10-3-1-9(2-4-10)8-17-11-5-6-16-7-11;5-4-6-2-1-3-7-4/h1-4,11,16H,5-8H2;1-3H,(H2,5,6,7)
InChIKeyNOBBISZMXPCDQF-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.64
Rot. Bonds3

About pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine

pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine (PubChem CID 166100756) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine.

Molecular Properties

Compound Namepyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine
PubChem CID166100756
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Namepyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine
SMILESFC(F)(F)c1ccc(COC2CCNC2)cc1.Nc1ncccn1
InChIInChI=1S/C12H14F3NO.C4H5N3/c13-12(14,15)10-3-1-9(2-4-10)8-17-11-5-6-16-7-11;5-4-6-2-1-3-7-4/h1-4,11,16H,5-8H2;1-3H,(H2,5,6,7)
InChIKeyNOBBISZMXPCDQF-UHFFFAOYSA-N
XLogP2.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)methyl (4R)-3,3-difluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
CID 124107516
(4-ethylphenyl)methyl (4R)-3,3-difluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
CID 134543785
[4-(difluoromethyl)phenyl]methyl (4R)-3,3-difluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
CID 139530278
2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]pyrimidine
CID 137656684
US9205085, Msx-208
CID 58757234
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325656
N-[4-[(2R)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325710
US9790230, Example 21
CID 129115592
US9790230, Example 23
CID 129115602
US9790230, Example 31
CID 129115610
US9790230, Example 80
CID 129115618
US9790230, Example 83
CID 129115620

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine?
The IUPAC name of pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine (CID 166100756) is pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine.
What is the SMILES notation for pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine?
The canonical SMILES for pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine is FC(F)(F)c1ccc(COC2CCNC2)cc1.Nc1ncccn1.
What is the InChIKey of pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine?
The InChIKey is NOBBISZMXPCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.C4H5N3/c13-12(14,15)10-3-1-9(2-4-10)8-17-11-5-6-16-7-11;5-4-6-2-1-3-7-4/h1-4,11,16H,5-8H2;1-3H,(H2,5,6,7).
What are the key properties of pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine?
pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine has a molecular weight of 340.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine;3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine is sourced from PubChem (CID 166100756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).