4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one

C10H9ClN2OS — CID 136769693

IUPAC4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(-c2ccc(Cl)s2)nc[nH]c1=O
InChIInChI=1S/C10H9ClN2OS/c1-2-6-9(12-5-13-10(6)14)7-3-4-8(11)15-7/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyFCEYQGYLFLAXQI-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.71
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one

4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 136769693) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID136769693
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(-c2ccc(Cl)s2)nc[nH]c1=O
InChIInChI=1S/C10H9ClN2OS/c1-2-6-9(12-5-13-10(6)14)7-3-4-8(11)15-7/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyFCEYQGYLFLAXQI-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one (CID 136769693) is 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one is CCc1c(-c2ccc(Cl)s2)nc[nH]c1=O.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is FCEYQGYLFLAXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-2-6-9(12-5-13-10(6)14)7-3-4-8(11)15-7/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one?
4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 240.72 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).