6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C8H10F3N3O — CID 66327557

IUPAC6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C8H10F3N3O/c1-2-15-7-3-6(13-5-14-7)12-4-8(9,10)11/h3,5H,2,4H2,1H3,(H,12,13,14)
InChIKeyNZDVWVPHFBMGQQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.85
Rot. Bonds4

About 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66327557) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66327557
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCOc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C8H10F3N3O/c1-2-15-7-3-6(13-5-14-7)12-4-8(9,10)11/h3,5H,2,4H2,1H3,(H,12,13,14)
InChIKeyNZDVWVPHFBMGQQ-UHFFFAOYSA-N
XLogP1.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66327557) is 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCOc1cc(NCC(F)(F)F)ncn1.
What is the InChIKey of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is NZDVWVPHFBMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-15-7-3-6(13-5-14-7)12-4-8(9,10)11/h3,5H,2,4H2,1H3,(H,12,13,14).
What are the key properties of 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 221.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).