6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one

C13H17ClN2O2S — CID 21183869

IUPAC6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(OCC(C)C)nc2sc(Cl)cc2c1=O
InChIInChI=1S/C13H17ClN2O2S/c1-4-5-16-12(17)9-6-10(14)19-11(9)15-13(16)18-7-8(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyFPLWYILNJHMUAE-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.56
Rot. Bonds5

About 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one

6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 21183869) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID21183869
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(OCC(C)C)nc2sc(Cl)cc2c1=O
InChIInChI=1S/C13H17ClN2O2S/c1-4-5-16-12(17)9-6-10(14)19-11(9)15-13(16)18-7-8(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyFPLWYILNJHMUAE-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one (CID 21183869) is 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1c(OCC(C)C)nc2sc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is FPLWYILNJHMUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-4-5-16-12(17)9-6-10(14)19-11(9)15-13(16)18-7-8(2)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one?
6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 300.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylpropoxy)-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 21183869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).