4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H18F3N3O3S — CID 55450860

IUPAC4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C19H18F3N3O3S/c1-10-14-17(28-3)24-13(9-27-2)25-18(14)29-15(10)16(26)23-8-11-5-4-6-12(7-11)19(20,21)22/h4-7H,8-9H2,1-3H3,(H,23,26)
InChIKeyWUMKZXMIWNKESQ-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.10
Rot. Bonds6

About 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55450860) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID55450860
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC Name4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C19H18F3N3O3S/c1-10-14-17(28-3)24-13(9-27-2)25-18(14)29-15(10)16(26)23-8-11-5-4-6-12(7-11)19(20,21)22/h4-7H,8-9H2,1-3H3,(H,23,26)
InChIKeyWUMKZXMIWNKESQ-UHFFFAOYSA-N
XLogP4.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 55450860) is 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is COCc1nc(OC)c2c(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)sc2n1.
What is the InChIKey of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WUMKZXMIWNKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-10-14-17(28-3)24-13(9-27-2)25-18(14)29-15(10)16(26)23-8-11-5-4-6-12(7-11)19(20,21)22/h4-7H,8-9H2,1-3H3,(H,23,26).
What are the key properties of 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 425.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55450860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).