2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone

C11H10ClN3OS2 — CID 38968189

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H10ClN3OS2/c1-6-4-10(13)15-11(14-6)17-5-7(16)8-2-3-9(12)18-8/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyPACUZHCFVCACDU-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 38968189) has the molecular formula C11H10ClN3OS2 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID38968189
Molecular FormulaC11H10ClN3OS2
Molecular Weight299.81 g/mol
Exact Mass299.00
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone
SMILESCc1cc(N)nc(SCC(=O)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H10ClN3OS2/c1-6-4-10(13)15-11(14-6)17-5-7(16)8-2-3-9(12)18-8/h2-4H,5H2,1H3,(H2,13,14,15)
InChIKeyPACUZHCFVCACDU-UHFFFAOYSA-N
XLogP3.06
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone (CID 38968189) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone is Cc1cc(N)nc(SCC(=O)c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is PACUZHCFVCACDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS2/c1-6-4-10(13)15-11(14-6)17-5-7(16)8-2-3-9(12)18-8/h2-4H,5H2,1H3,(H2,13,14,15).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 299.81 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 38968189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).