(3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol

C11H10N4OS2 — CID 66150917

IUPAC(3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1Sc1ncnc2ccsc12
InChIInChI=1S/C11H10N4OS2/c1-15-7(5-16)4-12-11(15)18-10-9-8(2-3-17-9)13-6-14-10/h2-4,6,16H,5H2,1H3
InChIKeyPPTRIOQMGUNING-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.07
Rot. Bonds3

About (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol

(3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol (PubChem CID 66150917) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol
PubChem CID66150917
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name(3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1Sc1ncnc2ccsc12
InChIInChI=1S/C11H10N4OS2/c1-15-7(5-16)4-12-11(15)18-10-9-8(2-3-17-9)13-6-14-10/h2-4,6,16H,5H2,1H3
InChIKeyPPTRIOQMGUNING-UHFFFAOYSA-N
XLogP2.07
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol?
The IUPAC name of (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol (CID 66150917) is (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol?
The canonical SMILES for (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol is Cn1c(CO)cnc1Sc1ncnc2ccsc12.
What is the InChIKey of (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol?
The InChIKey is PPTRIOQMGUNING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-15-7(5-16)4-12-11(15)18-10-9-8(2-3-17-9)13-6-14-10/h2-4,6,16H,5H2,1H3.
What are the key properties of (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol?
(3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol has a molecular weight of 278.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylimidazol-4-yl)methanol is sourced from PubChem (CID 66150917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).