3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol

C10H14F3N3O2 — CID 75510074

IUPAC3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCOc1cc(N(C)CC(O)C(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O2/c1-3-18-9-4-8(14-6-15-9)16(2)5-7(17)10(11,12)13/h4,6-7,17H,3,5H2,1-2H3
InChIKeyOHKVIQCUVRBIMR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.23
Rot. Bonds5

About 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol

3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 75510074) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID75510074
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCOc1cc(N(C)CC(O)C(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O2/c1-3-18-9-4-8(14-6-15-9)16(2)5-7(17)10(11,12)13/h4,6-7,17H,3,5H2,1-2H3
InChIKeyOHKVIQCUVRBIMR-UHFFFAOYSA-N
XLogP1.23
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol (CID 75510074) is 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol is CCOc1cc(N(C)CC(O)C(F)(F)F)ncn1.
What is the InChIKey of 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OHKVIQCUVRBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-18-9-4-8(14-6-15-9)16(2)5-7(17)10(11,12)13/h4,6-7,17H,3,5H2,1-2H3.
What are the key properties of 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 265.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 75510074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).