3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

C13H17N5O2S — CID 39163578

IUPAC3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2nc(N3CCNCC3)n(C)c(=O)c12
InChIInChI=1S/C13H17N5O2S/c1-7-8-11(21-9(7)10(14)19)16-13(17(2)12(8)20)18-5-3-15-4-6-18/h15H,3-6H2,1-2H3,(H2,14,19)
InChIKeyNAXDFPUVKVKTGI-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.19
Rot. Bonds2

About 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 39163578) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID39163578
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2nc(N3CCNCC3)n(C)c(=O)c12
InChIInChI=1S/C13H17N5O2S/c1-7-8-11(21-9(7)10(14)19)16-13(17(2)12(8)20)18-5-3-15-4-6-18/h15H,3-6H2,1-2H3,(H2,14,19)
InChIKeyNAXDFPUVKVKTGI-UHFFFAOYSA-N
XLogP-0.19
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,4-diazepan-1-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 93204069
2-(2-aminoethylamino)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39163580
3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163546
1-(2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 39081281
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
5-methyl-4-oxo-2-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868088
4-(6-carbamoyl-5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896510
3-benzyl-5-methyl-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 70692922
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride
CID 119445013
3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
CID 69364402
2-amino-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 44726072

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 39163578) is 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2nc(N3CCNCC3)n(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NAXDFPUVKVKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-7-8-11(21-9(7)10(14)19)16-13(17(2)12(8)20)18-5-3-15-4-6-18/h15H,3-6H2,1-2H3,(H2,14,19).
What are the key properties of 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-2-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 39163578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).