2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

C15H14N4O3S — CID 130350451

IUPAC2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2csc3cnc(N)nc23)cc1OC
InChIInChI=1S/C15H14N4O3S/c1-21-10-4-3-8(5-11(10)22-2)18-14(20)9-7-23-12-6-17-15(16)19-13(9)12/h3-7H,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyMTFWLIGDCKPYRO-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.54
Rot. Bonds4

About 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 130350451) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID130350451
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2csc3cnc(N)nc23)cc1OC
InChIInChI=1S/C15H14N4O3S/c1-21-10-4-3-8(5-11(10)22-2)18-14(20)9-7-23-12-6-17-15(16)19-13(9)12/h3-7H,1-2H3,(H,18,20)(H2,16,17,19)
InChIKeyMTFWLIGDCKPYRO-UHFFFAOYSA-N
XLogP2.54
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
N-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 17172952
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 20959480
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 140601618
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 130350451) is 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1ccc(NC(=O)c2csc3cnc(N)nc23)cc1OC.
What is the InChIKey of 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MTFWLIGDCKPYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-21-10-4-3-8(5-11(10)22-2)18-14(20)9-7-23-12-6-17-15(16)19-13(9)12/h3-7H,1-2H3,(H,18,20)(H2,16,17,19).
What are the key properties of 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 130350451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).