[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C13H19F3N4O — CID 106771025

IUPAC[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCCNc1cc(N2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-10-7-11(19-12(18-10)13(14,15)16)20-6-3-4-9(20)8-21/h7,9,21H,2-6,8H2,1H3,(H,17,18,19)
InChIKeyWTZDVKUAFHWIIA-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.28
Rot. Bonds5

About [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 106771025) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID106771025
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCCNc1cc(N2CCCC2CO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-10-7-11(19-12(18-10)13(14,15)16)20-6-3-4-9(20)8-21/h7,9,21H,2-6,8H2,1H3,(H,17,18,19)
InChIKeyWTZDVKUAFHWIIA-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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
N-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]propyl]-N-methylmethanesulfonamide
CID 72144611
(1-(2-Amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl)methanol
CID 76877854
(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
[1-[6-(1-Morpholin-4-ylpropan-2-ylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144609
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
(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
CID 122456427
1-[2-Amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
CID 122456428

Frequently Asked Questions

What is the IUPAC name of [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 106771025) is [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CCCNc1cc(N2CCCC2CO)nc(C(F)(F)F)n1.
What is the InChIKey of [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is WTZDVKUAFHWIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-5-17-10-7-11(19-12(18-10)13(14,15)16)20-6-3-4-9(20)8-21/h7,9,21H,2-6,8H2,1H3,(H,17,18,19).
What are the key properties of [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 304.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 106771025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).