4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine

C8H10F3N3O2 — CID 23358663

IUPAC4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine
SMILESCCOc1cc(OC(F)(F)F)nc(NC)n1
InChIInChI=1S/C8H10F3N3O2/c1-3-15-5-4-6(16-8(9,10)11)14-7(12-2)13-5/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyDHKANFXXYUGNSN-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.82
Rot. Bonds4

About 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine

4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine (PubChem CID 23358663) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine
PubChem CID23358663
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine
SMILESCCOc1cc(OC(F)(F)F)nc(NC)n1
InChIInChI=1S/C8H10F3N3O2/c1-3-15-5-4-6(16-8(9,10)11)14-7(12-2)13-5/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyDHKANFXXYUGNSN-UHFFFAOYSA-N
XLogP1.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine (CID 23358663) is 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine is CCOc1cc(OC(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine?
The InChIKey is DHKANFXXYUGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-3-15-5-4-6(16-8(9,10)11)14-7(12-2)13-5/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine?
4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine has a molecular weight of 237.18 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(trifluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 23358663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).