2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide

C25H30N4O3S — CID 126479767

IUPAC2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1c(C(=O)N2CCCC(C)C2)sc2ncn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c12
InChIInChI=1S/C25H30N4O3S/c1-15(2)18-7-9-19(10-8-18)27-20(30)13-29-14-26-23-21(24(29)31)17(4)22(33-23)25(32)28-11-5-6-16(3)12-28/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,27,30)
InChIKeyTWPUUTQTNURVLH-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.40
Rot. Bonds5

About 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 126479767) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID126479767
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1c(C(=O)N2CCCC(C)C2)sc2ncn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c12
InChIInChI=1S/C25H30N4O3S/c1-15(2)18-7-9-19(10-8-18)27-20(30)13-29-14-26-23-21(24(29)31)17(4)22(33-23)25(32)28-11-5-6-16(3)12-28/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,27,30)
InChIKeyTWPUUTQTNURVLH-UHFFFAOYSA-N
XLogP4.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3604620
2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51363496
N-(3-methoxypropyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 126479780
3-(2-ethoxyethyl)-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065777
3-[2-(4-carboxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409280
5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 126479776
3-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409149
2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3443759
5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 126479873
2-[6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 25113776
4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-(4-propan-2-ylphenyl)butanamide
CID 22333946
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40913662

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 126479767) is 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide is Cc1c(C(=O)N2CCCC(C)C2)sc2ncn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c12.
What is the InChIKey of 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is TWPUUTQTNURVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-15(2)18-7-9-19(10-8-18)27-20(30)13-29-14-26-23-21(24(29)31)17(4)22(33-23)25(32)28-11-5-6-16(3)12-28/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,27,30).
What are the key properties of 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 466.61 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 126479767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).