4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C13H17F3N4O2 — CID 136540536

IUPAC4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ncnc2c1CN(C(=O)N(C)CC(F)(F)F)CC2
InChIInChI=1S/C13H17F3N4O2/c1-3-22-11-9-6-20(5-4-10(9)17-8-18-11)12(21)19(2)7-13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyIEYBNGNGOVNHMZ-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.85
Rot. Bonds3

About 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 136540536) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID136540536
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ncnc2c1CN(C(=O)N(C)CC(F)(F)F)CC2
InChIInChI=1S/C13H17F3N4O2/c1-3-22-11-9-6-20(5-4-10(9)17-8-18-11)12(21)19(2)7-13(14,15)16/h8H,3-7H2,1-2H3
InChIKeyIEYBNGNGOVNHMZ-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 136540536) is 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCOc1ncnc2c1CN(C(=O)N(C)CC(F)(F)F)CC2.
What is the InChIKey of 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is IEYBNGNGOVNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-3-22-11-9-6-20(5-4-10(9)17-8-18-11)12(21)19(2)7-13(14,15)16/h8H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 136540536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).