2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H19F3N4O2S — CID 46414991

IUPAC2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)NCc3cccnc3OCC(F)(F)F)sc2n1
InChIInChI=1S/C19H19F3N4O2S/c1-4-13-25-11(3)14-10(2)15(29-18(14)26-13)16(27)24-8-12-6-5-7-23-17(12)28-9-19(20,21)22/h5-7H,4,8-9H2,1-3H3,(H,24,27)
InChIKeyNETZBZWUGBAGDY-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.14
Rot. Bonds6

About 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46414991) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46414991
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)NCc3cccnc3OCC(F)(F)F)sc2n1
InChIInChI=1S/C19H19F3N4O2S/c1-4-13-25-11(3)14-10(2)15(29-18(14)26-13)16(27)24-8-12-6-5-7-23-17(12)28-9-19(20,21)22/h5-7H,4,8-9H2,1-3H3,(H,24,27)
InChIKeyNETZBZWUGBAGDY-UHFFFAOYSA-N
XLogP4.14
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 46414991) is 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)NCc3cccnc3OCC(F)(F)F)sc2n1.
What is the InChIKey of 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NETZBZWUGBAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-4-13-25-11(3)14-10(2)15(29-18(14)26-13)16(27)24-8-12-6-5-7-23-17(12)28-9-19(20,21)22/h5-7H,4,8-9H2,1-3H3,(H,24,27).
What are the key properties of 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46414991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).