methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C10H9ClN2O2S — CID 3720661

IUPACmethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(Cl)c2c1C
InChIInChI=1S/C10H9ClN2O2S/c1-4-6-8(11)12-5(2)13-9(6)16-7(4)10(14)15-3/h1-3H3
InChIKeyZKRIVQOOENDMQL-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.75
Rot. Bonds1

About methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 3720661) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID3720661
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Namemethyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(Cl)c2c1C
InChIInChI=1S/C10H9ClN2O2S/c1-4-6-8(11)12-5(2)13-9(6)16-7(4)10(14)15-3/h1-3H3
InChIKeyZKRIVQOOENDMQL-UHFFFAOYSA-N
XLogP2.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 3720661) is methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)nc(Cl)c2c1C.
What is the InChIKey of methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZKRIVQOOENDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-4-6-8(11)12-5(2)13-9(6)16-7(4)10(14)15-3/h1-3H3.
What are the key properties of methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 256.71 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 3720661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).