2-chloro-4-methylsulfanylpyrimidin-5-amine

C5H6ClN3S — CID 18704809

IUPAC2-chloro-4-methylsulfanylpyrimidin-5-amine
SMILESCSc1nc(Cl)ncc1N
InChIInChI=1S/C5H6ClN3S/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3
InChIKeyXVFGOHLDAOAJDK-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.43
Rot. Bonds1

About 2-chloro-4-methylsulfanylpyrimidin-5-amine

2-chloro-4-methylsulfanylpyrimidin-5-amine (PubChem CID 18704809) has the molecular formula C5H6ClN3S and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-chloro-4-methylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-methylsulfanylpyrimidin-5-amine
PubChem CID18704809
Molecular FormulaC5H6ClN3S
Molecular Weight175.64 g/mol
Exact Mass175.00
IUPAC Name2-chloro-4-methylsulfanylpyrimidin-5-amine
SMILESCSc1nc(Cl)ncc1N
InChIInChI=1S/C5H6ClN3S/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3
InChIKeyXVFGOHLDAOAJDK-UHFFFAOYSA-N
XLogP1.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylsulfanylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-methylsulfanylpyrimidin-5-amine (CID 18704809) is 2-chloro-4-methylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-methylsulfanylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-methylsulfanylpyrimidin-5-amine is CSc1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-methylsulfanylpyrimidin-5-amine?
The InChIKey is XVFGOHLDAOAJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3S/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3.
What are the key properties of 2-chloro-4-methylsulfanylpyrimidin-5-amine?
2-chloro-4-methylsulfanylpyrimidin-5-amine has a molecular weight of 175.64 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 18704809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).