4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine

C13H17ClN2S — CID 165483095

IUPAC4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine
SMILESCCc1c(C)sc2nc(CC(C)C)nc(Cl)c12
InChIInChI=1S/C13H17ClN2S/c1-5-9-8(4)17-13-11(9)12(14)15-10(16-13)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyZVSOBMFNHBBJFD-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.41
Rot. Bonds3

About 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine

4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine (PubChem CID 165483095) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine
PubChem CID165483095
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine
SMILESCCc1c(C)sc2nc(CC(C)C)nc(Cl)c12
InChIInChI=1S/C13H17ClN2S/c1-5-9-8(4)17-13-11(9)12(14)15-10(16-13)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyZVSOBMFNHBBJFD-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine (CID 165483095) is 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine is CCc1c(C)sc2nc(CC(C)C)nc(Cl)c12.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine?
The InChIKey is ZVSOBMFNHBBJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-5-9-8(4)17-13-11(9)12(14)15-10(16-13)6-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine has a molecular weight of 268.81 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 165483095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).