2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one

C11H14N2OS — CID 12820924

IUPAC2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(C)nc2sc(C)cc2c1=O
InChIInChI=1S/C11H14N2OS/c1-4-5-13-8(3)12-10-9(11(13)14)6-7(2)15-10/h6H,4-5H2,1-3H3
InChIKeyFRVPBUCFEWAWHT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.48
Rot. Bonds2

About 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one

2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 12820924) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID12820924
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(C)nc2sc(C)cc2c1=O
InChIInChI=1S/C11H14N2OS/c1-4-5-13-8(3)12-10-9(11(13)14)6-7(2)15-10/h6H,4-5H2,1-3H3
InChIKeyFRVPBUCFEWAWHT-UHFFFAOYSA-N
XLogP2.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one (CID 12820924) is 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1c(C)nc2sc(C)cc2c1=O.
What is the InChIKey of 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is FRVPBUCFEWAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-5-13-8(3)12-10-9(11(13)14)6-7(2)15-10/h6H,4-5H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one?
2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 222.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 12820924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).