N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

C19H21N3O4S — CID 53197408

IUPACN-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)c(OC)c1
InChIInChI=1S/C19H21N3O4S/c1-10(2)22-9-20-16-15(11(3)27-17(16)19(22)24)18(23)21-13-7-6-12(25-4)8-14(13)26-5/h6-10H,1-5H3,(H,21,23)
InChIKeyCUFAZPZMFNJRTL-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.62
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197408) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197408
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)c(OC)c1
InChIInChI=1S/C19H21N3O4S/c1-10(2)22-9-20-16-15(11(3)27-17(16)19(22)24)18(23)21-13-7-6-12(25-4)8-14(13)26-5/h6-10H,1-5H3,(H,21,23)
InChIKeyCUFAZPZMFNJRTL-UHFFFAOYSA-N
XLogP3.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197431
N-(4-bromo-3-methylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197441
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 23610222
N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 660643
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860596
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339644

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (CID 53197408) is N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is COc1ccc(NC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is CUFAZPZMFNJRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-10(2)22-9-20-16-15(11(3)27-17(16)19(22)24)18(23)21-13-7-6-12(25-4)8-14(13)26-5/h6-10H,1-5H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).