(4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol

C12H9ClN2OS2 — CID 87814905

IUPAC(4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol
SMILESCc1c(CO)sc2nc(-c3cccs3)nc(Cl)c12
InChIInChI=1S/C12H9ClN2OS2/c1-6-8(5-16)18-12-9(6)10(13)14-11(15-12)7-3-2-4-17-7/h2-4,16H,5H2,1H3
InChIKeyALODHLHICWESJG-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.87
Rot. Bonds2

About (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol

(4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol (PubChem CID 87814905) has the molecular formula C12H9ClN2OS2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol.

Molecular Properties

Compound Name(4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol
PubChem CID87814905
Molecular FormulaC12H9ClN2OS2
Molecular Weight296.80 g/mol
Exact Mass295.98
IUPAC Name(4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol
SMILESCc1c(CO)sc2nc(-c3cccs3)nc(Cl)c12
InChIInChI=1S/C12H9ClN2OS2/c1-6-8(5-16)18-12-9(6)10(13)14-11(15-12)7-3-2-4-17-7/h2-4,16H,5H2,1H3
InChIKeyALODHLHICWESJG-UHFFFAOYSA-N
XLogP3.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol?
The IUPAC name of (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol (CID 87814905) is (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol.
What is the SMILES notation for (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol?
The canonical SMILES for (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol is Cc1c(CO)sc2nc(-c3cccs3)nc(Cl)c12.
What is the InChIKey of (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol?
The InChIKey is ALODHLHICWESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS2/c1-6-8(5-16)18-12-9(6)10(13)14-11(15-12)7-3-2-4-17-7/h2-4,16H,5H2,1H3.
What are the key properties of (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol?
(4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol has a molecular weight of 296.80 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl)methanol is sourced from PubChem (CID 87814905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).