[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C10H13F3N4O — CID 114565679

IUPAC[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nc(N2CCC(CO)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-3-8(16-9(14)15-7)17-2-1-6(4-17)5-18/h3,6,18H,1-2,4-5H2,(H2,14,15,16)
InChIKeyALGSRLIOPDYUAN-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.90
Rot. Bonds2

About [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 114565679) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID114565679
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESNc1nc(N2CCC(CO)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-3-8(16-9(14)15-7)17-2-1-6(4-17)5-18/h3,6,18H,1-2,4-5H2,(H2,14,15,16)
InChIKeyALGSRLIOPDYUAN-UHFFFAOYSA-N
XLogP0.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564188
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565467
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564180
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112624050
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 71634268

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 114565679) is [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is Nc1nc(N2CCC(CO)C2)cc(C(F)(F)F)n1.
What is the InChIKey of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is ALGSRLIOPDYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-3-8(16-9(14)15-7)17-2-1-6(4-17)5-18/h3,6,18H,1-2,4-5H2,(H2,14,15,16).
What are the key properties of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 262.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 114565679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).