2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile

C10H9N3OS2 — CID 10015048

IUPAC2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
SMILESCSc1sc2c(=O)n(C)c(C)nc2c1C#N
InChIInChI=1S/C10H9N3OS2/c1-5-12-7-6(4-11)10(15-3)16-8(7)9(14)13(5)2/h1-3H3
InChIKeyMYBLWJHMUMYIML-UHFFFAOYSA-N
MW251.34 g/mol
LogP1.90
Rot. Bonds1

About 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile

2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 10015048) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
PubChem CID10015048
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
SMILESCSc1sc2c(=O)n(C)c(C)nc2c1C#N
InChIInChI=1S/C10H9N3OS2/c1-5-12-7-6(4-11)10(15-3)16-8(7)9(14)13(5)2/h1-3H3
InChIKeyMYBLWJHMUMYIML-UHFFFAOYSA-N
XLogP1.90
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5,7-tetramethylthieno[3,4-d]pyrimidin-4-one
CID 59961681
2-methylsulfanylthieno[3,2-b]pyridine-3-carbonitrile
CID 15005423
5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
CID 90143685
ethyl N-(6-cyano-2,3-dimethyl-7-methylsulfanylimidazo[4,5-b]pyridin-5-yl)methanimidate
CID 102480761
3-hydroxy-5-methylsulfanylthiophene-2,4-dicarbonitrile
CID 14119770
6-fluoro-2,3,8-trimethylquinazolin-4-one
CID 90253866
3-chloro-5-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1,2-thiazole-4-carbonitrile
CID 133425573
5-methyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
CID 512963
ethane;ethyl 4-cyano-3-methyl-5-methylsulfanylthiophene-2-carboxylate
CID 143914737
3-ethylsulfanyl-5-methylsulfanyl-1,2-thiazole-4-carbonitrile
CID 612206
1-amino-4,6-dimethyl-5-methylsulfanyl-2-oxopyridine-3-carbonitrile
CID 4962307
6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one
CID 177234106

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile (CID 10015048) is 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile is CSc1sc2c(=O)n(C)c(C)nc2c1C#N.
What is the InChIKey of 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is MYBLWJHMUMYIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-5-12-7-6(4-11)10(15-3)16-8(7)9(14)13(5)2/h1-3H3.
What are the key properties of 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 251.34 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-methylsulfanyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 10015048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).