N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine

C15H19N5 — CID 107855070

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H19N5/c1-9-14(17-10(2)18-15(9)20-16)19-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyCJPYYXBDFVIQLL-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 107855070) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
PubChem CID107855070
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H19N5/c1-9-14(17-10(2)18-15(9)20-16)19-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyCJPYYXBDFVIQLL-UHFFFAOYSA-N
XLogP1.96
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (CID 107855070) is N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(NN)c(C)c(NC2Cc3ccccc3C2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is CJPYYXBDFVIQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-14(17-10(2)18-15(9)20-16)19-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-8,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 107855070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).