2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine

C10H10ClN3S — CID 82477239

IUPAC2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H10ClN3S/c11-9-2-1-8(15-9)7-4-6-13-10(14-7)3-5-12/h1-2,4,6H,3,5,12H2
InChIKeyHAZXTHKCOPRBQA-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.36
Rot. Bonds3

About 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine

2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine (PubChem CID 82477239) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine
PubChem CID82477239
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine
SMILESNCCc1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H10ClN3S/c11-9-2-1-8(15-9)7-4-6-13-10(14-7)3-5-12/h1-2,4,6H,3,5,12H2
InChIKeyHAZXTHKCOPRBQA-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine (CID 82477239) is 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine is NCCc1nccc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is HAZXTHKCOPRBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-9-2-1-8(15-9)7-4-6-13-10(14-7)3-5-12/h1-2,4,6H,3,5,12H2.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine?
2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 239.73 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 82477239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).