N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine

C8H12N6O2 — CID 80944111

IUPACN-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
SMILESCN(c1ncnc(NN)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C8H12N6O2/c1-13(5-2-3-5)8-6(14(15)16)7(12-9)10-4-11-8/h4-5H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyCRXPAVKAMIUPRB-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.27
Rot. Bonds4

About N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine

N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 80944111) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
PubChem CID80944111
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC NameN-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
SMILESCN(c1ncnc(NN)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C8H12N6O2/c1-13(5-2-3-5)8-6(14(15)16)7(12-9)10-4-11-8/h4-5H,2-3,9H2,1H3,(H,10,11,12)
InChIKeyCRXPAVKAMIUPRB-UHFFFAOYSA-N
XLogP0.27
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
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'}

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Related Compounds

6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563
6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80902263
4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 112726545
4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 112726456
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 80906337
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-nitropyrimidin-4-amine
CID 80900384
6-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine
CID 23479545

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine (CID 80944111) is N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine is CN(c1ncnc(NN)c1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is CRXPAVKAMIUPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c1-13(5-2-3-5)8-6(14(15)16)7(12-9)10-4-11-8/h4-5H,2-3,9H2,1H3,(H,10,11,12).
What are the key properties of N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 224.22 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80944111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).