1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

C11H14F3N3O — CID 113246672

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1cc(C)nc(N2CCC(O)(C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O/c1-7-5-8(2)16-9(15-7)17-4-3-10(18,6-17)11(12,13)14/h5,18H,3-4,6H2,1-2H3
InChIKeyOZNWQXCKDSEHGP-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.60
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 113246672) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID113246672
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1cc(C)nc(N2CCC(O)(C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O/c1-7-5-8(2)16-9(15-7)17-4-3-10(18,6-17)11(12,13)14/h5,18H,3-4,6H2,1-2H3
InChIKeyOZNWQXCKDSEHGP-UHFFFAOYSA-N
XLogP1.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 113246672) is 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is Cc1cc(C)nc(N2CCC(O)(C(F)(F)F)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is OZNWQXCKDSEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-5-8(2)16-9(15-7)17-4-3-10(18,6-17)11(12,13)14/h5,18H,3-4,6H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 261.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 113246672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).