2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

C11H16N8S — CID 80923227

IUPAC2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESCCCc1c(NN)ncnc1Sc1nc(N)cc(N)n1
InChIInChI=1S/C11H16N8S/c1-2-3-6-9(19-14)15-5-16-10(6)20-11-17-7(12)4-8(13)18-11/h4-5H,2-3,14H2,1H3,(H,15,16,19)(H4,12,13,17,18)
InChIKeyMANUUKFTFNEFJE-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.82
Rot. Bonds5

About 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 80923227) has the molecular formula C11H16N8S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID80923227
Molecular FormulaC11H16N8S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESCCCc1c(NN)ncnc1Sc1nc(N)cc(N)n1
InChIInChI=1S/C11H16N8S/c1-2-3-6-9(19-14)15-5-16-10(6)20-11-17-7(12)4-8(13)18-11/h4-5H,2-3,14H2,1H3,(H,15,16,19)(H4,12,13,17,18)
InChIKeyMANUUKFTFNEFJE-UHFFFAOYSA-N
XLogP0.82
TPSA141.65 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80885968
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885324
[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
CID 80921884
5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931194
[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928958
[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80929836
[6-[(4-chlorophenyl)methylsulfanyl]-5-propylpyrimidin-4-yl]hydrazine
CID 114793144
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (CID 80923227) is 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is CCCc1c(NN)ncnc1Sc1nc(N)cc(N)n1.
What is the InChIKey of 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is MANUUKFTFNEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8S/c1-2-3-6-9(19-14)15-5-16-10(6)20-11-17-7(12)4-8(13)18-11/h4-5H,2-3,14H2,1H3,(H,15,16,19)(H4,12,13,17,18).
What are the key properties of 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 292.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80923227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).