(3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

C15H20F3N3O — CID 95338093

IUPAC(3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESO[C@H]1C[C@H](C2CCCCC2)N(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)13-6-7-19-14(20-13)21-9-11(22)8-12(21)10-4-2-1-3-5-10/h6-7,10-12,22H,1-5,8-9H2/t11-,12+/m0/s1
InChIKeyBASSHEHFAYGWFG-NWDGAFQWSA-N
MW315.34 g/mol
LogP3.02
Rot. Bonds2

About (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

(3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 95338093) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID95338093
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name(3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESO[C@H]1C[C@H](C2CCCCC2)N(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)13-6-7-19-14(20-13)21-9-11(22)8-12(21)10-4-2-1-3-5-10/h6-7,10-12,22H,1-5,8-9H2/t11-,12+/m0/s1
InChIKeyBASSHEHFAYGWFG-NWDGAFQWSA-N
XLogP3.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{3-(Cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl}methanol
CID 70721153
3-(Piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 70767573
[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 47084461
1-[4-[[Methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616828
(3-Endo)-8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56869053
[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]methanol
CID 72004361
(1R*,3S*)-7-[4-(trifluoromethyl)-2-pyrimidinyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72870644
[(3aS,6aS)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 72880151
2-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]propane-1,3-diol
CID 95787424
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 64586057
2-(Hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157039468
(2R,3R,4R,5S)-2-cyclopentyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 170423201

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 95338093) is (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is O[C@H]1C[C@H](C2CCCCC2)N(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is BASSHEHFAYGWFG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)13-6-7-19-14(20-13)21-9-11(22)8-12(21)10-4-2-1-3-5-10/h6-7,10-12,22H,1-5,8-9H2/t11-,12+/m0/s1.
What are the key properties of (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
(3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 315.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 95338093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).