N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

C19H19N3O4S — CID 53197447

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1sc2c(=O)n(C(C)C)cnc2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19N3O4S/c1-10(2)22-9-20-16-15(11(3)27-17(16)19(22)24)18(23)21-12-4-5-13-14(8-12)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3,(H,21,23)
InChIKeyZUHLTPCKPJIEMB-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.37
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197447) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197447
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1sc2c(=O)n(C(C)C)cnc2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19N3O4S/c1-10(2)22-9-20-16-15(11(3)27-17(16)19(22)24)18(23)21-12-4-5-13-14(8-12)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3,(H,21,23)
InChIKeyZUHLTPCKPJIEMB-UHFFFAOYSA-N
XLogP3.37
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197396
N-(2,4-dimethoxyphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112759204
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide
CID 71708888
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632540
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702324
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696238
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110863143
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (CID 53197447) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is Cc1sc2c(=O)n(C(C)C)cnc2c1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is ZUHLTPCKPJIEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-10(2)22-9-20-16-15(11(3)27-17(16)19(22)24)18(23)21-12-4-5-13-14(8-12)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).