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

C12H17F3N4O — CID 95625697

IUPAC[(2S)-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-/m0/s1
InChIKeySAPBHTMGOKKQDQ-QMMMGPOBSA-N
MW290.29 g/mol
LogP1.52
Rot. Bonds3

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

[(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 95625697) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID95625697
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[(2S)-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-/m0/s1
InChIKeySAPBHTMGOKKQDQ-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 95625697) is [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-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 [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SAPBHTMGOKKQDQ-QMMMGPOBSA-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-/m0/s1.
What are the key properties of [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-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 [(2S)-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95625697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).