[(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol

C13H19F3N4O — CID 56871290

IUPAC[(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol
SMILESCN1C[C@H](Nc2nccc(CCC(F)(F)F)n2)C[C@H]1CO
InChIInChI=1S/C13H19F3N4O/c1-20-7-10(6-11(20)8-21)19-12-17-5-3-9(18-12)2-4-13(14,15)16/h3,5,10-11,21H,2,4,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyJMUFFERMWORKLR-MNOVXSKESA-N
MW304.32 g/mol
LogP1.45
Rot. Bonds5

About [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol

[(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol (PubChem CID 56871290) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol
PubChem CID56871290
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol
SMILESCN1C[C@H](Nc2nccc(CCC(F)(F)F)n2)C[C@H]1CO
InChIInChI=1S/C13H19F3N4O/c1-20-7-10(6-11(20)8-21)19-12-17-5-3-9(18-12)2-4-13(14,15)16/h3,5,10-11,21H,2,4,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1
InChIKeyJMUFFERMWORKLR-MNOVXSKESA-N
XLogP1.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
[1-[6-[(2-Methylpyrimidin-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144598
2-[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
CID 2795939
[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 47084461
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862385
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}ethyl)imidazolidin-2-one
CID 56862662
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56864271
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
1-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}propan-2-OL
CID 56866102
(3S*,4R*)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56874670

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol (CID 56871290) is [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol is CN1C[C@H](Nc2nccc(CCC(F)(F)F)n2)C[C@H]1CO.
What is the InChIKey of [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol?
The InChIKey is JMUFFERMWORKLR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-20-7-10(6-11(20)8-21)19-12-17-5-3-9(18-12)2-4-13(14,15)16/h3,5,10-11,21H,2,4,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1.
What are the key properties of [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol?
[(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol has a molecular weight of 304.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-methyl-4-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 56871290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).