ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

C11H13F3N4O2 — CID 57361087

IUPACethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)N1CCc2nc(N)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N4O2/c1-2-20-10(19)18-4-3-7-6(5-18)8(11(12,13)14)17-9(15)16-7/h2-5H2,1H3,(H2,15,16,17)
InChIKeyFVGJVKSOAYQABF-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.59
Rot. Bonds1

About ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (PubChem CID 57361087) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
PubChem CID57361087
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Nameethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)N1CCc2nc(N)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N4O2/c1-2-20-10(19)18-4-3-7-6(5-18)8(11(12,13)14)17-9(15)16-7/h2-5H2,1H3,(H2,15,16,17)
InChIKeyFVGJVKSOAYQABF-UHFFFAOYSA-N
XLogP1.59
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate (CID 57361087) is ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is CCOC(=O)N1CCc2nc(N)nc(C(F)(F)F)c2C1.
What is the InChIKey of ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
The InChIKey is FVGJVKSOAYQABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-2-20-10(19)18-4-3-7-6(5-18)8(11(12,13)14)17-9(15)16-7/h2-5H2,1H3,(H2,15,16,17).
What are the key properties of ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate?
ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate has a molecular weight of 290.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 57361087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).