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

C12H17F3N4O — CID 95625696

IUPAC[(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H]2CO)n1
InChIInChI=1S/C12H17F3N4O/c1-18(2)10-6-9(12(13,14)15)16-11(17-10)19-5-3-4-8(19)7-20/h6,8,20H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeySAPBHTMGOKKQDQ-MRVPVSSYSA-N
MW290.29 g/mol
LogP1.52
Rot. Bonds3

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

[(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 95625696) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID95625696
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H]2CO)n1
InChIInChI=1S/C12H17F3N4O/c1-18(2)10-6-9(12(13,14)15)16-11(17-10)19-5-3-4-8(19)7-20/h6,8,20H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeySAPBHTMGOKKQDQ-MRVPVSSYSA-N
XLogP1.52
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 47084461
4-(Hydroxymethyl)-1-[2-(1-pyrrolidinyl)-6-(trifluoromethyl)-4-pyrimidinyl]-4-azepanol
CID 56889715
[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 60504432
(1-(4-(Trifluoromethyl)pyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 63373262
1-[2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 119103479
1-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 114562576
4-Hydroxy-1,5-dimethyl-3-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-2-one
CID 117923494
(1S,4S)-5-[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 147489533
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
2-Methyl-1-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
CID 174360828
(3S)-1-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 176048352

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 95625696) is [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H]2CO)n1.
What is the InChIKey of [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SAPBHTMGOKKQDQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18(2)10-6-9(12(13,14)15)16-11(17-10)19-5-3-4-8(19)7-20/h6,8,20H,3-5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 290.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95625696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).