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

C9H11F3N4O — CID 106771825

IUPAC1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1cc(N2CCC(O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)8-14-6(13)3-7(15-8)16-2-1-5(17)4-16/h3,5,17H,1-2,4H2,(H2,13,14,15)
InChIKeyNXHWEZWEJYXGSY-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.65
Rot. Bonds1

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

1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 106771825) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID106771825
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1cc(N2CCC(O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)8-14-6(13)3-7(15-8)16-2-1-5(17)4-16/h3,5,17H,1-2,4H2,(H2,13,14,15)
InChIKeyNXHWEZWEJYXGSY-UHFFFAOYSA-N
XLogP0.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771344
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 106772473
7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106772418
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 106771825) is 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is Nc1cc(N2CCC(O)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is NXHWEZWEJYXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)8-14-6(13)3-7(15-8)16-2-1-5(17)4-16/h3,5,17H,1-2,4H2,(H2,13,14,15).
What are the key properties of 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 248.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106771825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).