N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C12H13N3O2S2 — CID 60655410

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC3C=CS(=O)(=O)C3)c2c1C
InChIInChI=1S/C12H13N3O2S2/c1-7-8(2)18-12-10(7)11(13-6-14-12)15-9-3-4-19(16,17)5-9/h3-4,6,9H,5H2,1-2H3,(H,13,14,15)
InChIKeyWAQBNOSJYVIDMN-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.03
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 60655410) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID60655410
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NC3C=CS(=O)(=O)C3)c2c1C
InChIInChI=1S/C12H13N3O2S2/c1-7-8(2)18-12-10(7)11(13-6-14-12)15-9-3-4-19(16,17)5-9/h3-4,6,9H,5H2,1-2H3,(H,13,14,15)
InChIKeyWAQBNOSJYVIDMN-UHFFFAOYSA-N
XLogP2.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 60655410) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NC3C=CS(=O)(=O)C3)c2c1C.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WAQBNOSJYVIDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-7-8(2)18-12-10(7)11(13-6-14-12)15-9-3-4-19(16,17)5-9/h3-4,6,9H,5H2,1-2H3,(H,13,14,15).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60655410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).