N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

C15H26N6 — CID 81001780

IUPACN-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCc1nc(NN)c(C)c(NC2CN3CCC2CC3)n1
InChIInChI=1S/C15H26N6/c1-3-4-13-18-14(10(2)15(19-13)20-16)17-12-9-21-7-5-11(12)6-8-21/h11-12H,3-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyZSUCBBULCFHAFP-UHFFFAOYSA-N
MW290.42 g/mol
LogP1.53
Rot. Bonds5

About N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 81001780) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID81001780
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC NameN-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCc1nc(NN)c(C)c(NC2CN3CCC2CC3)n1
InChIInChI=1S/C15H26N6/c1-3-4-13-18-14(10(2)15(19-13)20-16)17-12-9-21-7-5-11(12)6-8-21/h11-12H,3-9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyZSUCBBULCFHAFP-UHFFFAOYSA-N
XLogP1.53
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 51.53
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'}

Analyze N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80981730
N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001681
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81005985
N-(2,3-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81000906
N-(4,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006435
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
2-(2-aminoethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 50968883
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 63729919
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982082
6-hydrazinyl-5-methyl-N-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 81006835

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 81001780) is N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is CCCc1nc(NN)c(C)c(NC2CN3CCC2CC3)n1.
What is the InChIKey of N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZSUCBBULCFHAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-3-4-13-18-14(10(2)15(19-13)20-16)17-12-9-21-7-5-11(12)6-8-21/h11-12H,3-9,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 290.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 81001780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).