5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine

C12H15N3S2 — CID 650599

IUPAC5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC=C(C)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H15N3S2/c1-6(2)5-16-12-14-10(13)9-7(3)8(4)17-11(9)15-12/h1,5H2,2-4H3,(H2,13,14,15)
InChIKeyKGEVQWWPMKPQOK-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.56
Rot. Bonds3

About 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 650599) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID650599
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC=C(C)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H15N3S2/c1-6(2)5-16-12-14-10(13)9-7(3)8(4)17-11(9)15-12/h1,5H2,2-4H3,(H2,13,14,15)
InChIKeyKGEVQWWPMKPQOK-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine (CID 650599) is 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine is C=C(C)CSc1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KGEVQWWPMKPQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-6(2)5-16-12-14-10(13)9-7(3)8(4)17-11(9)15-12/h1,5H2,2-4H3,(H2,13,14,15).
What are the key properties of 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 265.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 650599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).