4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

C8H10F3N3O3 — CID 175471466

IUPAC4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O3/c1-15-5-4(17-3-8(9,10)11)6(16-2)14-7(12)13-5/h3H2,1-2H3,(H2,12,13,14)
InChIKeyVJXAANZFVJIZRS-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.02
Rot. Bonds4

About 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (PubChem CID 175471466) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
PubChem CID175471466
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O3/c1-15-5-4(17-3-8(9,10)11)6(16-2)14-7(12)13-5/h3H2,1-2H3,(H2,12,13,14)
InChIKeyVJXAANZFVJIZRS-UHFFFAOYSA-N
XLogP1.02
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine (CID 175471466) is 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is COc1nc(N)nc(OC)c1OCC(F)(F)F.
What is the InChIKey of 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
The InChIKey is VJXAANZFVJIZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3/c1-15-5-4(17-3-8(9,10)11)6(16-2)14-7(12)13-5/h3H2,1-2H3,(H2,12,13,14).
What are the key properties of 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine?
4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine has a molecular weight of 253.18 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 175471466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).