[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C11H14F3N3O — CID 102786865

IUPAC[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nccc(C(F)(F)F)n2)C1CO
InChIInChI=1S/C11H14F3N3O/c1-7-3-5-17(8(7)6-18)10-15-4-2-9(16-10)11(12,13)14/h2,4,7-8,18H,3,5-6H2,1H3
InChIKeyVRMNFMUFBYTWSH-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.70
Rot. Bonds2

About [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 102786865) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID102786865
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nccc(C(F)(F)F)n2)C1CO
InChIInChI=1S/C11H14F3N3O/c1-7-3-5-17(8(7)6-18)10-15-4-2-9(16-10)11(12,13)14/h2,4,7-8,18H,3,5-6H2,1H3
InChIKeyVRMNFMUFBYTWSH-UHFFFAOYSA-N
XLogP1.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 102786865) is [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is CC1CCN(c2nccc(C(F)(F)F)n2)C1CO.
What is the InChIKey of [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is VRMNFMUFBYTWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-3-5-17(8(7)6-18)10-15-4-2-9(16-10)11(12,13)14/h2,4,7-8,18H,3,5-6H2,1H3.
What are the key properties of [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 261.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).