1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

C11H14F3N3O2 — CID 86816206

IUPAC1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCOc1cc(N2CCC(O)(C(F)(F)F)C2)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-2-19-9-5-8(15-7-16-9)17-4-3-10(18,6-17)11(12,13)14/h5,7,18H,2-4,6H2,1H3
InChIKeyYSNRRFQUVWMMDC-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.38
Rot. Bonds3

About 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 86816206) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID86816206
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCOc1cc(N2CCC(O)(C(F)(F)F)C2)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-2-19-9-5-8(15-7-16-9)17-4-3-10(18,6-17)11(12,13)14/h5,7,18H,2-4,6H2,1H3
InChIKeyYSNRRFQUVWMMDC-UHFFFAOYSA-N
XLogP1.38
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 86816206) is 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is CCOc1cc(N2CCC(O)(C(F)(F)F)C2)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is YSNRRFQUVWMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-2-19-9-5-8(15-7-16-9)17-4-3-10(18,6-17)11(12,13)14/h5,7,18H,2-4,6H2,1H3.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 277.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 86816206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).