3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C10H9ClN2OS — CID 102685617

IUPAC3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(C/C=C/Cl)cnc12
InChIInChI=1S/C10H9ClN2OS/c1-7-5-15-9-8(7)12-6-13(10(9)14)4-2-3-11/h2-3,5-6H,4H2,1H3/b3-2+
InChIKeyQRVSCEMCKNGFIJ-NSCUHMNNSA-N
MW240.72 g/mol
LogP2.52
Rot. Bonds2

About 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685617) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685617
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(C/C=C/Cl)cnc12
InChIInChI=1S/C10H9ClN2OS/c1-7-5-15-9-8(7)12-6-13(10(9)14)4-2-3-11/h2-3,5-6H,4H2,1H3/b3-2+
InChIKeyQRVSCEMCKNGFIJ-NSCUHMNNSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685617) is 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(C/C=C/Cl)cnc12.
What is the InChIKey of 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is QRVSCEMCKNGFIJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-7-5-15-9-8(7)12-6-13(10(9)14)4-2-3-11/h2-3,5-6H,4H2,1H3/b3-2+.
What are the key properties of 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).