1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone

C10H7ClN2OS — CID 67259112

IUPAC1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone
SMILESO=C(Cc1ccncn1)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2OS/c11-10-2-1-9(15-10)8(14)5-7-3-4-12-6-13-7/h1-4,6H,5H2
InChIKeySAMJAVAKJXROEQ-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.62
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone

1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone (PubChem CID 67259112) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone
PubChem CID67259112
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone
SMILESO=C(Cc1ccncn1)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2OS/c11-10-2-1-9(15-10)8(14)5-7-3-4-12-6-13-7/h1-4,6H,5H2
InChIKeySAMJAVAKJXROEQ-UHFFFAOYSA-N
XLogP2.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone (CID 67259112) is 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone is O=C(Cc1ccncn1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone?
The InChIKey is SAMJAVAKJXROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-10-2-1-9(15-10)8(14)5-7-3-4-12-6-13-7/h1-4,6H,5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone?
1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone has a molecular weight of 238.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylethanone is sourced from PubChem (CID 67259112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).