3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide

C22H25N3O2S — CID 53197583

IUPAC3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)sc3c(=O)n(C4CCCCC4)cnc23)c(C)c1
InChIInChI=1S/C22H25N3O2S/c1-13-9-10-17(14(2)11-13)24-21(26)18-15(3)28-20-19(18)23-12-25(22(20)27)16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,24,26)
InChIKeyNUJVGVCAXXCIPU-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.14
Rot. Bonds3

About 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide

3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197583) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197583
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)sc3c(=O)n(C4CCCCC4)cnc23)c(C)c1
InChIInChI=1S/C22H25N3O2S/c1-13-9-10-17(14(2)11-13)24-21(26)18-15(3)28-20-19(18)23-12-25(22(20)27)16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,24,26)
InChIKeyNUJVGVCAXXCIPU-UHFFFAOYSA-N
XLogP5.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-cyclohexyl-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carbaldehyde;methanamine
CID 177194887
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
N-(4-bromo-3-methylphenyl)-6-methyl-4-oxo-3-propan-2-ylthieno[3,2-d]pyrimidine-7-carboxamide
CID 53197441
2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 171999865
N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502748
5-cyclohexyl-13-(2-hydroxyethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one;2-methyl-3-(4-methylphenyl)-5-sulfanylpyrimidin-4-one
CID 160589357
2-(9-chloro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 50774077
N-(2,4-dimethylphenyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxamide
CID 16584145
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
N-(2,4-dimethylphenyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266724
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
CID 19166051

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide (CID 53197583) is 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(NC(=O)c2c(C)sc3c(=O)n(C4CCCCC4)cnc23)c(C)c1.
What is the InChIKey of 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is NUJVGVCAXXCIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-13-9-10-17(14(2)11-13)24-21(26)18-15(3)28-20-19(18)23-12-25(22(20)27)16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,24,26).
What are the key properties of 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2,4-dimethylphenyl)-6-methyl-4-oxothieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).