N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide

C22H24F3N3O3S — CID 24825265

IUPACN,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21
InChIInChI=1S/C22H24F3N3O3S/c1-12(2)11-28-20-17(19(30)27(5)21(28)31)16(18(29)26(3)4)15(32-20)10-13-8-6-7-9-14(13)22(23,24)25/h6-9,12H,10-11H2,1-5H3
InChIKeySMWYZKVDOWWISU-UHFFFAOYSA-N
MW467.51 g/mol
LogP3.73
Rot. Bonds5

About N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide

N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 24825265) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID24825265
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC NameN,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21
InChIInChI=1S/C22H24F3N3O3S/c1-12(2)11-28-20-17(19(30)27(5)21(28)31)16(18(29)26(3)4)15(32-20)10-13-8-6-7-9-14(13)22(23,24)25/h6-9,12H,10-11H2,1-5H3
InChIKeySMWYZKVDOWWISU-UHFFFAOYSA-N
XLogP3.73
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 24825265) is N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N(C)C)c(Cc3ccccc3C(F)(F)F)sc21.
What is the InChIKey of N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SMWYZKVDOWWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c1-12(2)11-28-20-17(19(30)27(5)21(28)31)16(18(29)26(3)4)15(32-20)10-13-8-6-7-9-14(13)22(23,24)25/h6-9,12H,10-11H2,1-5H3.
What are the key properties of N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide?
N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 24825265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).