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

C10H12F3N3O — CID 119103479

IUPAC1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-14-8(10(11,12)13)4-9(15-6)16-3-2-7(17)5-16/h4,7,17H,2-3,5H2,1H3
InChIKeyMUDUTQOAOGJJMK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.37
Rot. Bonds1

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

1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 119103479) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID119103479
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCc1nc(N2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-14-8(10(11,12)13)4-9(15-6)16-3-2-7(17)5-16/h4,7,17H,2-3,5H2,1H3
InChIKeyMUDUTQOAOGJJMK-UHFFFAOYSA-N
XLogP1.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 119103479) is 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is Cc1nc(N2CCC(O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is MUDUTQOAOGJJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-14-8(10(11,12)13)4-9(15-6)16-3-2-7(17)5-16/h4,7,17H,2-3,5H2,1H3.
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 119103479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).