[3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C12H17F3N4O — CID 102789842

IUPAC[3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1nc(N2CCC(C)C2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-7-3-4-19(8(7)6-20)10-5-9(12(13,14)15)17-11(16-2)18-10/h5,7-8,20H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyRREDAIPAFSKEJL-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.74
Rot. Bonds3

About [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 102789842) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID102789842
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1nc(N2CCC(C)C2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-7-3-4-19(8(7)6-20)10-5-9(12(13,14)15)17-11(16-2)18-10/h5,7-8,20H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyRREDAIPAFSKEJL-UHFFFAOYSA-N
XLogP1.74
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 102789842) is [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CNc1nc(N2CCC(C)C2CO)cc(C(F)(F)F)n1.
What is the InChIKey of [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is RREDAIPAFSKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7-3-4-19(8(7)6-20)10-5-9(12(13,14)15)17-11(16-2)18-10/h5,7-8,20H,3-4,6H2,1-2H3,(H,16,17,18).
What are the key properties of [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 290.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).