[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

C13H19F3N4O — CID 106773345

IUPAC[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1cc(N2CCC(C)C2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-10-6-11(19-12(18-10)13(14,15)16)20-5-4-8(2)9(20)7-21/h6,8-9,21H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyQEMDEQFJLCFSAU-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.13
Rot. Bonds4

About [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 106773345) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID106773345
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1cc(N2CCC(C)C2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-10-6-11(19-12(18-10)13(14,15)16)20-5-4-8(2)9(20)7-21/h6,8-9,21H,3-5,7H2,1-2H3,(H,17,18,19)
InChIKeyQEMDEQFJLCFSAU-UHFFFAOYSA-N
XLogP2.13
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-(4-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585776
(R)-2-(2-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54586765
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
2-[[2-Amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359916
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456345
1-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456346
(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456391
[(2S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol;6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 160729314
[1-[6-[1-(2,2,2-Trifluoroethoxy)propan-2-ylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144562
[1-[6-[[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144568
[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764024
[(2R)-1-[6-[[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764025

Frequently Asked Questions

What is the IUPAC name of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (CID 106773345) is [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is CCNc1cc(N2CCC(C)C2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is QEMDEQFJLCFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-17-10-6-11(19-12(18-10)13(14,15)16)20-5-4-8(2)9(20)7-21/h6,8-9,21H,3-5,7H2,1-2H3,(H,17,18,19).
What are the key properties of [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 304.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 106773345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).