4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine

C11H12F3N3O — CID 45490284

IUPAC4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine
SMILESCCOC1(C(F)(F)F)N=CNc2ccnc(C)c21
InChIInChI=1S/C11H12F3N3O/c1-3-18-10(11(12,13)14)9-7(2)15-5-4-8(9)16-6-17-10/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyPQQJFVZBEQJOPI-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.60
Rot. Bonds2

About 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine

4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine (PubChem CID 45490284) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine
PubChem CID45490284
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine
SMILESCCOC1(C(F)(F)F)N=CNc2ccnc(C)c21
InChIInChI=1S/C11H12F3N3O/c1-3-18-10(11(12,13)14)9-7(2)15-5-4-8(9)16-6-17-10/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyPQQJFVZBEQJOPI-UHFFFAOYSA-N
XLogP2.60
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine (CID 45490284) is 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine is CCOC1(C(F)(F)F)N=CNc2ccnc(C)c21.
What is the InChIKey of 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine?
The InChIKey is PQQJFVZBEQJOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-3-18-10(11(12,13)14)9-7(2)15-5-4-8(9)16-6-17-10/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine?
4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine has a molecular weight of 259.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 45490284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).