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

C11H15F3N4O — CID 103358898

IUPAC3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCC(C)(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-10(19)3-4-18(6-10)8-5-7(11(12,13)14)16-9(15-2)17-8/h5,19H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyYKMJFIUGHYAPSS-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.50
Rot. Bonds2

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

3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 103358898) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID103358898
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCC(C)(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-10(19)3-4-18(6-10)8-5-7(11(12,13)14)16-9(15-2)17-8/h5,19H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyYKMJFIUGHYAPSS-UHFFFAOYSA-N
XLogP1.50
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.50
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-3-ol?
The IUPAC name of 3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 103358898) is 3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is CNc1nc(N2CCC(C)(O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is YKMJFIUGHYAPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-10(19)3-4-18(6-10)8-5-7(11(12,13)14)16-9(15-2)17-8/h5,19H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
3-methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 276.26 g/mol, XLogP of 1.50, 2 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-3-ol is sourced from PubChem (CID 103358898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).