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

C11H15F3N4O — CID 102789977

IUPAC[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(C(F)(F)F)nc(N)n2)C1CO
InChIInChI=1S/C11H15F3N4O/c1-6-2-3-18(7(6)5-19)9-4-8(11(12,13)14)16-10(15)17-9/h4,6-7,19H,2-3,5H2,1H3,(H2,15,16,17)
InChIKeyAWXCUSCKXJAZSB-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.28
Rot. Bonds2

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

[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789977) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789977
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(C(F)(F)F)nc(N)n2)C1CO
InChIInChI=1S/C11H15F3N4O/c1-6-2-3-18(7(6)5-19)9-4-8(11(12,13)14)16-10(15)17-9/h4,6-7,19H,2-3,5H2,1H3,(H2,15,16,17)
InChIKeyAWXCUSCKXJAZSB-UHFFFAOYSA-N
XLogP1.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 47084461
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504432
[3-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 156779758
[3-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 156779779
1-[2-(3-Methylbutylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 169972676
1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 172210445
[(1R,5S)-3-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 176026229
(3S)-1-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 176048352
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 56789654
1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 56795508
(3S*,4S*)-4-({[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino}methyl)piperidin-3-ol
CID 56903149
(1-(4-(Trifluoromethyl)pyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 63373262

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102789977) is [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2cc(C(F)(F)F)nc(N)n2)C1CO.
What is the InChIKey of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is AWXCUSCKXJAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6-2-3-18(7(6)5-19)9-4-8(11(12,13)14)16-10(15)17-9/h4,6-7,19H,2-3,5H2,1H3,(H2,15,16,17).
What are the key properties of [1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 276.26 g/mol, XLogP of 1.28, 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]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).