N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide

C23H22N4O4S — CID 164626714

IUPACN-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide
SMILESCNC(=O)c1ccccc1-c1csc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
InChIInChI=1S/C23H22N4O4S/c1-24-22(28)15-8-6-5-7-14(15)16-12-32-19-11-25-23(27-20(16)19)26-13-9-17(29-2)21(31-4)18(10-13)30-3/h5-12H,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyWFUMMLZHGTTYAJ-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.49
Rot. Bonds7

About N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide

N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide (PubChem CID 164626714) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide
PubChem CID164626714
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide
SMILESCNC(=O)c1ccccc1-c1csc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
InChIInChI=1S/C23H22N4O4S/c1-24-22(28)15-8-6-5-7-14(15)16-12-32-19-11-25-23(27-20(16)19)26-13-9-17(29-2)21(31-4)18(10-13)30-3/h5-12H,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyWFUMMLZHGTTYAJ-UHFFFAOYSA-N
XLogP4.49
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2-methylsulfonylphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164611156
2-amino-N-[4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide
CID 162674736
2-[[2-(3-hydroxy-4,5-dimethoxyanilino)-5-(2-phenylethyl)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 118908158
2-chloro-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-7-amine
CID 86673224
2-fluoro-4-[[7-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-2-yl]amino]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 162663846
N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 42628931
2-amino-5-[2-(3,4-dimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]-N-hydroxybenzeneamine oxide
CID 118680557
CID 156831484
CID 156831484
4-[2-(4-methylbenzoyl)anilino]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile
CID 68796093
N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 71812787
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide?
The IUPAC name of N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide (CID 164626714) is N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide is CNC(=O)c1ccccc1-c1csc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12.
What is the InChIKey of N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide?
The InChIKey is WFUMMLZHGTTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-24-22(28)15-8-6-5-7-14(15)16-12-32-19-11-25-23(27-20(16)19)26-13-9-17(29-2)21(31-4)18(10-13)30-3/h5-12H,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide?
N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide has a molecular weight of 450.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 164626714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).