4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine

C13H11ClN2OS2 — CID 87814884

IUPAC4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCOCc1sc2nc(-c3cccs3)nc(Cl)c2c1C
InChIInChI=1S/C13H11ClN2OS2/c1-7-9(6-17-2)19-13-10(7)11(14)15-12(16-13)8-4-3-5-18-8/h3-5H,6H2,1-2H3
InChIKeyKJRKTALBJKVJFN-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.53
Rot. Bonds3

About 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine

4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 87814884) has the molecular formula C13H11ClN2OS2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID87814884
Molecular FormulaC13H11ClN2OS2
Molecular Weight310.83 g/mol
Exact Mass310.00
IUPAC Name4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCOCc1sc2nc(-c3cccs3)nc(Cl)c2c1C
InChIInChI=1S/C13H11ClN2OS2/c1-7-9(6-17-2)19-13-10(7)11(14)15-12(16-13)8-4-3-5-18-8/h3-5H,6H2,1-2H3
InChIKeyKJRKTALBJKVJFN-UHFFFAOYSA-N
XLogP4.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 87814884) is 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine is COCc1sc2nc(-c3cccs3)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is KJRKTALBJKVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS2/c1-7-9(6-17-2)19-13-10(7)11(14)15-12(16-13)8-4-3-5-18-8/h3-5H,6H2,1-2H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 310.83 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 87814884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).