2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide

C12H10N6OS2 — CID 60699189

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESNc1nc(SCC(=O)Nc2ncccn2)nc2sccc12
InChIInChI=1S/C12H10N6OS2/c13-9-7-2-5-20-10(7)18-12(17-9)21-6-8(19)16-11-14-3-1-4-15-11/h1-5H,6H2,(H2,13,17,18)(H,14,15,16,19)
InChIKeyTXVFXOXAIWRATR-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 60699189) has the molecular formula C12H10N6OS2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID60699189
Molecular FormulaC12H10N6OS2
Molecular Weight318.39 g/mol
Exact Mass318.04
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESNc1nc(SCC(=O)Nc2ncccn2)nc2sccc12
InChIInChI=1S/C12H10N6OS2/c13-9-7-2-5-20-10(7)18-12(17-9)21-6-8(19)16-11-14-3-1-4-15-11/h1-5H,6H2,(H2,13,17,18)(H,14,15,16,19)
InChIKeyTXVFXOXAIWRATR-UHFFFAOYSA-N
XLogP1.79
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 51264113
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide
CID 51264258
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 60699011
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide
CID 41192192
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 60733654
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 24622977
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 51264157
3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 60728043
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 24649264
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 39012999
2-(3-phenylprop-2-ynylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
CID 62726751
ethyl 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylbutanoate
CID 64662166

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (CID 60699189) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide is Nc1nc(SCC(=O)Nc2ncccn2)nc2sccc12.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is TXVFXOXAIWRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS2/c13-9-7-2-5-20-10(7)18-12(17-9)21-6-8(19)16-11-14-3-1-4-15-11/h1-5H,6H2,(H2,13,17,18)(H,14,15,16,19).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 318.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 60699189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).