4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine

C5H8ClN5S — CID 12926760

IUPAC4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(N)nc1NN
InChIInChI=1S/C5H8ClN5S/c1-12-2-3(6)9-5(7)10-4(2)11-8/h8H2,1H3,(H3,7,9,10,11)
InChIKeyXKJCLTOVVHIJIK-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.72
Rot. Bonds2

About 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine

4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine (PubChem CID 12926760) has the molecular formula C5H8ClN5S and a molecular weight of 205.67 g/mol. Its IUPAC name is 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
PubChem CID12926760
Molecular FormulaC5H8ClN5S
Molecular Weight205.67 g/mol
Exact Mass205.02
IUPAC Name4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine
SMILESCSc1c(Cl)nc(N)nc1NN
InChIInChI=1S/C5H8ClN5S/c1-12-2-3(6)9-5(7)10-4(2)11-8/h8H2,1H3,(H3,7,9,10,11)
InChIKeyXKJCLTOVVHIJIK-UHFFFAOYSA-N
XLogP0.72
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine (CID 12926760) is 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine is CSc1c(Cl)nc(N)nc1NN.
What is the InChIKey of 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is XKJCLTOVVHIJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN5S/c1-12-2-3(6)9-5(7)10-4(2)11-8/h8H2,1H3,(H3,7,9,10,11).
What are the key properties of 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine?
4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine has a molecular weight of 205.67 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hydrazinyl-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 12926760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).