6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine

C11H17N7S — CID 80897715

IUPAC6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C11H17N7S/c1-8(6-18-4-3-13-7-18)14-9-5-10(17-12)16-11(15-9)19-2/h3-5,7-8H,6,12H2,1-2H3,(H2,14,15,16,17)
InChIKeyPZIYHXUPRXINRO-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.18
Rot. Bonds6

About 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine

6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80897715) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80897715
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(NN)cc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C11H17N7S/c1-8(6-18-4-3-13-7-18)14-9-5-10(17-12)16-11(15-9)19-2/h3-5,7-8H,6,12H2,1-2H3,(H2,14,15,16,17)
InChIKeyPZIYHXUPRXINRO-UHFFFAOYSA-N
XLogP1.18
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808927
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
6-N-methyl-2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809780
6-hydrazinyl-2-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
CID 80915241
2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
CID 113378590
(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80899902
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
CID 83266216
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine (CID 80897715) is 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(NN)cc(NC(C)Cn2ccnc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is PZIYHXUPRXINRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-8(6-18-4-3-13-7-18)14-9-5-10(17-12)16-11(15-9)19-2/h3-5,7-8H,6,12H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 279.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80897715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).