2,5-dichloro-6-methylsulfanylpyrimidin-4-amine

C5H5Cl2N3S — CID 88739829

IUPAC2,5-dichloro-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)nc(N)c1Cl
InChIInChI=1S/C5H5Cl2N3S/c1-11-4-2(6)3(8)9-5(7)10-4/h1H3,(H2,8,9,10)
InChIKeyOHBZDNZSTFTWNR-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.09
Rot. Bonds1

About 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine

2,5-dichloro-6-methylsulfanylpyrimidin-4-amine (PubChem CID 88739829) has the molecular formula C5H5Cl2N3S and a molecular weight of 210.09 g/mol. Its IUPAC name is 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-6-methylsulfanylpyrimidin-4-amine
PubChem CID88739829
Molecular FormulaC5H5Cl2N3S
Molecular Weight210.09 g/mol
Exact Mass208.96
IUPAC Name2,5-dichloro-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)nc(N)c1Cl
InChIInChI=1S/C5H5Cl2N3S/c1-11-4-2(6)3(8)9-5(7)10-4/h1H3,(H2,8,9,10)
InChIKeyOHBZDNZSTFTWNR-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine (CID 88739829) is 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)nc(N)c1Cl.
What is the InChIKey of 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is OHBZDNZSTFTWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3S/c1-11-4-2(6)3(8)9-5(7)10-4/h1H3,(H2,8,9,10).
What are the key properties of 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine?
2,5-dichloro-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 210.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 88739829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).