6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine

C13H14N6O2 — CID 80902156

IUPAC6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESNNc1ncnc(NC2CC2c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N6O2/c14-18-13-11(19(20)21)12(15-7-16-13)17-10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6,14H2,(H2,15,16,17,18)
InChIKeyAOBPABMBYZCYHK-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.64
Rot. Bonds5

About 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine

6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine (PubChem CID 80902156) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
PubChem CID80902156
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
SMILESNNc1ncnc(NC2CC2c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N6O2/c14-18-13-11(19(20)21)12(15-7-16-13)17-10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6,14H2,(H2,15,16,17,18)
InChIKeyAOBPABMBYZCYHK-UHFFFAOYSA-N
XLogP1.64
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-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

2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
CID 115593125
3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 62476705
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80902052
N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80915027
3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
CID 113228947
4-N-(2-methylcyclopropyl)-5-nitropyrimidine-4,6-diamine
CID 80826806
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898756
4-N-(2,3-dihydro-1H-inden-2-yl)-5-nitropyrimidine-4,6-diamine
CID 107855427
6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481340
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoic acid
CID 22534779

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine (CID 80902156) is 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine is NNc1ncnc(NC2CC2c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
The InChIKey is AOBPABMBYZCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c14-18-13-11(19(20)21)12(15-7-16-13)17-10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6,14H2,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine?
6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine has a molecular weight of 286.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 80902156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).