5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine

C9H8ClN5S — CID 89255962

IUPAC5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
SMILESCc1cnc(Cl)nc1Sc1cnc(N)nc1
InChIInChI=1S/C9H8ClN5S/c1-5-2-12-8(10)15-7(5)16-6-3-13-9(11)14-4-6/h2-4H,1H3,(H2,11,13,14)
InChIKeyCKKJSCNLYVAEMI-UHFFFAOYSA-N
MW253.72 g/mol
LogP1.96
Rot. Bonds2

About 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine

5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine (PubChem CID 89255962) has the molecular formula C9H8ClN5S and a molecular weight of 253.72 g/mol. Its IUPAC name is 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
PubChem CID89255962
Molecular FormulaC9H8ClN5S
Molecular Weight253.72 g/mol
Exact Mass253.02
IUPAC Name5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
SMILESCc1cnc(Cl)nc1Sc1cnc(N)nc1
InChIInChI=1S/C9H8ClN5S/c1-5-2-12-8(10)15-7(5)16-6-3-13-9(11)14-4-6/h2-4H,1H3,(H2,11,13,14)
InChIKeyCKKJSCNLYVAEMI-UHFFFAOYSA-N
XLogP1.96
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine (CID 89255962) is 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine is Cc1cnc(Cl)nc1Sc1cnc(N)nc1.
What is the InChIKey of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
The InChIKey is CKKJSCNLYVAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5S/c1-5-2-12-8(10)15-7(5)16-6-3-13-9(11)14-4-6/h2-4H,1H3,(H2,11,13,14).
What are the key properties of 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine?
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine has a molecular weight of 253.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 89255962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).