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

C15H24N6 — CID 81001681

IUPACN-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1c(NN)nc(C2CC2)nc1NC1CN2CCC1CC2
InChIInChI=1S/C15H24N6/c1-9-13(17-12-8-21-6-4-10(12)5-7-21)18-15(11-2-3-11)19-14(9)20-16/h10-12H,2-8,16H2,1H3,(H2,17,18,19,20)
InChIKeyCVKMZCPSBYAVII-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.45
Rot. Bonds4

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

N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 81001681) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID81001681
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1c(NN)nc(C2CC2)nc1NC1CN2CCC1CC2
InChIInChI=1S/C15H24N6/c1-9-13(17-12-8-21-6-4-10(12)5-7-21)18-15(11-2-3-11)19-14(9)20-16/h10-12H,2-8,16H2,1H3,(H2,17,18,19,20)
InChIKeyCVKMZCPSBYAVII-UHFFFAOYSA-N
XLogP1.45
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.45
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-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001780
2-cyclopropyl-N-(1-ethylpiperidin-3-yl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80995326
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 63729919
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine
CID 114542317
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982082
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 115563143
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 82744561
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80981730
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
N-(2-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80943155

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 81001681) is N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is Cc1c(NN)nc(C2CC2)nc1NC1CN2CCC1CC2.
What is the InChIKey of N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is CVKMZCPSBYAVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-9-13(17-12-8-21-6-4-10(12)5-7-21)18-15(11-2-3-11)19-14(9)20-16/h10-12H,2-8,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 288.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 81001681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).