N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

C19H21N3O2S — CID 53197431

IUPACN-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)c1
InChIInChI=1S/C19H21N3O2S/c1-10(2)22-9-20-16-15(13(5)25-17(16)19(22)24)18(23)21-14-8-11(3)6-7-12(14)4/h6-10H,1-5H3,(H,21,23)
InChIKeyNNSGPHKXXGZHBR-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.22
Rot. Bonds3

About N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide

N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197431) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197431
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)c1
InChIInChI=1S/C19H21N3O2S/c1-10(2)22-9-20-16-15(13(5)25-17(16)19(22)24)18(23)21-14-8-11(3)6-7-12(14)4/h6-10H,1-5H3,(H,21,23)
InChIKeyNNSGPHKXXGZHBR-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-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)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197447
3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
CID 53197583
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329
4-(azepan-1-yl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847291
methyl 3-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 7710423
N-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 110695993
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide (CID 53197431) is N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(C)c(NC(=O)c2c(C)sc3c(=O)n(C(C)C)cnc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is NNSGPHKXXGZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-10(2)22-9-20-16-15(13(5)25-17(16)19(22)24)18(23)21-14-8-11(3)6-7-12(14)4/h6-10H,1-5H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide?
N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).