4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide

C13H17N5OS — CID 22110109

IUPAC4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCc1sc2ncnc(N3CCNC(C(N)=O)C3)c2c1C
InChIInChI=1S/C13H17N5OS/c1-7-8(2)20-13-10(7)12(16-6-17-13)18-4-3-15-9(5-18)11(14)19/h6,9,15H,3-5H2,1-2H3,(H2,14,19)
InChIKeyKDRJSMXCPWPCHU-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.57
Rot. Bonds2

About 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide

4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 22110109) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID22110109
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCc1sc2ncnc(N3CCNC(C(N)=O)C3)c2c1C
InChIInChI=1S/C13H17N5OS/c1-7-8(2)20-13-10(7)12(16-6-17-13)18-4-3-15-9(5-18)11(14)19/h6,9,15H,3-5H2,1-2H3,(H2,14,19)
InChIKeyKDRJSMXCPWPCHU-UHFFFAOYSA-N
XLogP0.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carbothioamide
CID 79680495
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696905
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
(2S)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9108435
(1R,2S,8R,9S)-11-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-8-carboxamide
CID 171385235
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thiomorpholine-3-carboxylic acid
CID 82901153

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide (CID 22110109) is 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide is Cc1sc2ncnc(N3CCNC(C(N)=O)C3)c2c1C.
What is the InChIKey of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is KDRJSMXCPWPCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-7-8(2)20-13-10(7)12(16-6-17-13)18-4-3-15-9(5-18)11(14)19/h6,9,15H,3-5H2,1-2H3,(H2,14,19).
What are the key properties of 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide?
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 22110109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).