2-chloro-4-ethylsulfanylpyrimidin-5-amine

C6H8ClN3S — CID 605055

IUPAC2-chloro-4-ethylsulfanylpyrimidin-5-amine
SMILESCCSc1nc(Cl)ncc1N
InChIInChI=1S/C6H8ClN3S/c1-2-11-5-4(8)3-9-6(7)10-5/h3H,2,8H2,1H3
InChIKeyJRJRMKIDWNYONV-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.82
Rot. Bonds2

About 2-chloro-4-ethylsulfanylpyrimidin-5-amine

2-chloro-4-ethylsulfanylpyrimidin-5-amine (PubChem CID 605055) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-chloro-4-ethylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-ethylsulfanylpyrimidin-5-amine
PubChem CID605055
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name2-chloro-4-ethylsulfanylpyrimidin-5-amine
SMILESCCSc1nc(Cl)ncc1N
InChIInChI=1S/C6H8ClN3S/c1-2-11-5-4(8)3-9-6(7)10-5/h3H,2,8H2,1H3
InChIKeyJRJRMKIDWNYONV-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylsulfanylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-ethylsulfanylpyrimidin-5-amine (CID 605055) is 2-chloro-4-ethylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-ethylsulfanylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-ethylsulfanylpyrimidin-5-amine is CCSc1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-ethylsulfanylpyrimidin-5-amine?
The InChIKey is JRJRMKIDWNYONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c1-2-11-5-4(8)3-9-6(7)10-5/h3H,2,8H2,1H3.
What are the key properties of 2-chloro-4-ethylsulfanylpyrimidin-5-amine?
2-chloro-4-ethylsulfanylpyrimidin-5-amine has a molecular weight of 189.67 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 605055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).