4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine

C10H11N5S — CID 19149700

IUPAC4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
SMILESNNc1ncnc(Sc2ccccc2)c1N
InChIInChI=1S/C10H11N5S/c11-8-9(15-12)13-6-14-10(8)16-7-4-2-1-3-5-7/h1-6H,11-12H2,(H,13,14,15)
InChIKeyKXDBBAKLOQKYNO-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.50
Rot. Bonds3

About 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine

4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine (PubChem CID 19149700) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
PubChem CID19149700
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
SMILESNNc1ncnc(Sc2ccccc2)c1N
InChIInChI=1S/C10H11N5S/c11-8-9(15-12)13-6-14-10(8)16-7-4-2-1-3-5-7/h1-6H,11-12H2,(H,13,14,15)
InChIKeyKXDBBAKLOQKYNO-UHFFFAOYSA-N
XLogP1.50
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
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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Related Compounds

4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
6-phenylsulfanyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147565
4-chloro-6-phenylsulfanylpyrimidin-5-amine
CID 11637278
4-N-hexadecyl-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19142416
6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
CID 19143766
4-N-(3-chloro-4-fluorophenyl)-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19149738
4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19146603
4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19136570
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145707
4-N-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136581
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine (CID 19149700) is 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine is NNc1ncnc(Sc2ccccc2)c1N.
What is the InChIKey of 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine?
The InChIKey is KXDBBAKLOQKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c11-8-9(15-12)13-6-14-10(8)16-7-4-2-1-3-5-7/h1-6H,11-12H2,(H,13,14,15).
What are the key properties of 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine?
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine has a molecular weight of 233.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 19149700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).