3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C19H21N3O2S — CID 26691237

IUPAC3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C19H21N3O2S/c1-10(2)13-8-6-7-11(3)15(13)21-17(23)16-12(4)14-18(25-16)20-9-22(5)19(14)24/h6-10H,1-5H3,(H,21,23)
InChIKeyWOKRUAUYNZVDKK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.99
Rot. Bonds3

About 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26691237) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26691237
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1sc2ncn(C)c(=O)c2c1C
InChIInChI=1S/C19H21N3O2S/c1-10(2)13-8-6-7-11(3)15(13)21-17(23)16-12(4)14-18(25-16)20-9-22(5)19(14)24/h6-10H,1-5H3,(H,21,23)
InChIKeyWOKRUAUYNZVDKK-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[3-(methylcarbamoyl)phenyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18146247
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18106835
3,5-dimethyl-4-oxo-N-(2-phenylpyrimidin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134009535
S-[2-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56576564
N-[2-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55613008
(2S)-2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 1193704
3,5-dimethyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 30865272
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26692384
N-(2-anilino-2-oxo-1-phenylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55779226
(2S)-2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate
CID 6973493

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 26691237) is 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1sc2ncn(C)c(=O)c2c1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WOKRUAUYNZVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-10(2)13-8-6-7-11(3)15(13)21-17(23)16-12(4)14-18(25-16)20-9-22(5)19(14)24/h6-10H,1-5H3,(H,21,23).
What are the key properties of 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26691237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).