6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H12F3N3O — CID 66327860

IUPAC6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O/c1-3-16-8-6(2)7(14-5-15-8)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyYHHHQCRHUJWJBH-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.16
Rot. Bonds4

About 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66327860) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66327860
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCC(F)(F)F)c1C
InChIInChI=1S/C9H12F3N3O/c1-3-16-8-6(2)7(14-5-15-8)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyYHHHQCRHUJWJBH-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66327860) is 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCOc1ncnc(NCC(F)(F)F)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is YHHHQCRHUJWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-16-8-6(2)7(14-5-15-8)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).