N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C12H20N6 — CID 80904548

IUPACN-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1cc(NC2CCN3CCCC23)nc(NN)n1
InChIInChI=1S/C12H20N6/c1-8-7-11(16-12(14-8)17-13)15-9-4-6-18-5-2-3-10(9)18/h7,9-10H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyZGEFIPQEBAIEKK-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.72
Rot. Bonds3

About N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 80904548) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID80904548
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1cc(NC2CCN3CCCC23)nc(NN)n1
InChIInChI=1S/C12H20N6/c1-8-7-11(16-12(14-8)17-13)15-9-4-6-18-5-2-3-10(9)18/h7,9-10H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyZGEFIPQEBAIEKK-UHFFFAOYSA-N
XLogP0.72
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.72
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

N-(2,3-dimethylcyclohexyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80944500
2-hydrazinyl-6-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80944363
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112637279
2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80934582
6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
CID 80934511
2-hydrazinyl-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80906686
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828902
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-ethylpyrimidine-4,6-diamine
CID 80934865
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyridine-2,4-diamine
CID 83265432
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80784794
N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62482243

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 80904548) is N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Cc1cc(NC2CCN3CCCC23)nc(NN)n1.
What is the InChIKey of N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is ZGEFIPQEBAIEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-8-7-11(16-12(14-8)17-13)15-9-4-6-18-5-2-3-10(9)18/h7,9-10H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 248.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-6-methylpyrimidin-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 80904548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).