2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4O2S — CID 46564228

IUPAC2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2sc3nc(C)nc(C)c3c2C)c(C)c1
InChIInChI=1S/C21H24N4O2S/c1-10-7-11(2)18(12(3)8-10)25-16(26)9-22-20(27)19-13(4)17-14(5)23-15(6)24-21(17)28-19/h7-8H,9H2,1-6H3,(H,22,27)(H,25,26)
InChIKeyUIXAQWNTHJWICN-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.91
Rot. Bonds4

About 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46564228) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46564228
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2sc3nc(C)nc(C)c3c2C)c(C)c1
InChIInChI=1S/C21H24N4O2S/c1-10-7-11(2)18(12(3)8-10)25-16(26)9-22-20(27)19-13(4)17-14(5)23-15(6)24-21(17)28-19/h7-8H,9H2,1-6H3,(H,22,27)(H,25,26)
InChIKeyUIXAQWNTHJWICN-UHFFFAOYSA-N
XLogP3.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 47154179
N-(4-bromo-2-methoxy-6-methylphenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56502211
4-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816429
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30376117
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24675463
N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33282949
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46578103
2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33284197
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
N-(2-benzylsulfanylethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044020

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 46564228) is 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2sc3nc(C)nc(C)c3c2C)c(C)c1.
What is the InChIKey of 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UIXAQWNTHJWICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-10-7-11(2)18(12(3)8-10)25-16(26)9-22-20(27)19-13(4)17-14(5)23-15(6)24-21(17)28-19/h7-8H,9H2,1-6H3,(H,22,27)(H,25,26).
What are the key properties of 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46564228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).