5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C21H18N4O2S — CID 35177368

IUPAC5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2N)c1
InChIInChI=1S/C21H18N4O2S/c1-12-16-17(22)18(20(26)24-14-9-6-10-15(11-14)27-2)28-21(16)25-19(23-12)13-7-4-3-5-8-13/h3-11H,22H2,1-2H3,(H,24,26)
InChIKeyGWMRIKJKUPGUFI-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.51
Rot. Bonds4

About 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 35177368) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID35177368
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2N)c1
InChIInChI=1S/C21H18N4O2S/c1-12-16-17(22)18(20(26)24-14-9-6-10-15(11-14)27-2)28-21(16)25-19(23-12)13-7-4-3-5-8-13/h3-11H,22H2,1-2H3,(H,24,26)
InChIKeyGWMRIKJKUPGUFI-UHFFFAOYSA-N
XLogP4.51
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 139934875
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
3-amino-5-[hydroxy-(4-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162421381
3-amino-5-benzoyl-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155812590
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143505135
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 6618684
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 35177368) is 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide is COc1cccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2N)c1.
What is the InChIKey of 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GWMRIKJKUPGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-12-16-17(22)18(20(26)24-14-9-6-10-15(11-14)27-2)28-21(16)25-19(23-12)13-7-4-3-5-8-13/h3-11H,22H2,1-2H3,(H,24,26).
What are the key properties of 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 35177368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).