4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

C11H13N5S — CID 19149890

IUPAC4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Sc2ncnc(NN)c2N)cc1
InChIInChI=1S/C11H13N5S/c1-7-2-4-8(5-3-7)17-11-9(12)10(16-13)14-6-15-11/h2-6H,12-13H2,1H3,(H,14,15,16)
InChIKeyNVTRYPRYGQQSGI-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.80
Rot. Bonds3

About 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (PubChem CID 19149890) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
PubChem CID19149890
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Sc2ncnc(NN)c2N)cc1
InChIInChI=1S/C11H13N5S/c1-7-2-4-8(5-3-7)17-11-9(12)10(16-13)14-6-15-11/h2-6H,12-13H2,1H3,(H,14,15,16)
InChIKeyNVTRYPRYGQQSGI-UHFFFAOYSA-N
XLogP1.80
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.80
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-phenylsulfanylpyrimidin-5-amine
CID 19149700
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
4-(2,2-diphenylhydrazinyl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19146603
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145707
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
4-N-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149957
6-(4-methylphenyl)sulfanyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19149943
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149887
4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19142877
6-(4-methylphenyl)sulfanyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19149974
4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149917
4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149920

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (CID 19149890) is 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is Cc1ccc(Sc2ncnc(NN)c2N)cc1.
What is the InChIKey of 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The InChIKey is NVTRYPRYGQQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-7-2-4-8(5-3-7)17-11-9(12)10(16-13)14-6-15-11/h2-6H,12-13H2,1H3,(H,14,15,16).
What are the key properties of 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine has a molecular weight of 247.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 19149890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).