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

C7H12ClN5S — CID 144529077

IUPAC4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1nc(Cl)c(N)c(NN)n1
InChIInChI=1S/C7H12ClN5S/c1-2-3-14-7-11-5(8)4(9)6(12-7)13-10/h2-3,9-10H2,1H3,(H,11,12,13)
InChIKeyFHBKAFMFCUHLHH-UHFFFAOYSA-N
MW233.73 g/mol
LogP1.50
Rot. Bonds4

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

4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine (PubChem CID 144529077) has the molecular formula C7H12ClN5S and a molecular weight of 233.73 g/mol. Its IUPAC name is 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine
PubChem CID144529077
Molecular FormulaC7H12ClN5S
Molecular Weight233.73 g/mol
Exact Mass233.05
IUPAC Name4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1nc(Cl)c(N)c(NN)n1
InChIInChI=1S/C7H12ClN5S/c1-2-3-14-7-11-5(8)4(9)6(12-7)13-10/h2-3,9-10H2,1H3,(H,11,12,13)
InChIKeyFHBKAFMFCUHLHH-UHFFFAOYSA-N
XLogP1.50
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.73
LogP ≤ 51.50
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-2-propylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine (CID 144529077) is 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine is CCCSc1nc(Cl)c(N)c(NN)n1.
What is the InChIKey of 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine?
The InChIKey is FHBKAFMFCUHLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5S/c1-2-3-14-7-11-5(8)4(9)6(12-7)13-10/h2-3,9-10H2,1H3,(H,11,12,13).
What are the key properties of 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine?
4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine has a molecular weight of 233.73 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hydrazinyl-2-propylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 144529077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).