5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

C12H17F3N4O — CID 66052031

IUPAC5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-18(2)6-8-5-9(20)7-19(8)11-16-4-3-10(17-11)12(13,14)15/h3-4,8-9,20H,5-7H2,1-2H3
InChIKeyZUCIOJDOQHHEBK-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.00
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 66052031) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID66052031
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-18(2)6-8-5-9(20)7-19(8)11-16-4-3-10(17-11)12(13,14)15/h3-4,8-9,20H,5-7H2,1-2H3
InChIKeyZUCIOJDOQHHEBK-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 66052031) is 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is ZUCIOJDOQHHEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18(2)6-8-5-9(20)7-19(8)11-16-4-3-10(17-11)12(13,14)15/h3-4,8-9,20H,5-7H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 290.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 66052031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).