N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C12H18N6O2 — CID 80905890

IUPACN,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(N(CC2CC2)CC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N6O2/c13-16-11-10(18(19)20)12(15-7-14-11)17(5-8-1-2-8)6-9-3-4-9/h7-9H,1-6,13H2,(H,14,15,16)
InChIKeyAHDARCXHBHYHEA-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.30
Rot. Bonds7

About N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 80905890) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID80905890
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(N(CC2CC2)CC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N6O2/c13-16-11-10(18(19)20)12(15-7-14-11)17(5-8-1-2-8)6-9-3-4-9/h7-9H,1-6,13H2,(H,14,15,16)
InChIKeyAHDARCXHBHYHEA-UHFFFAOYSA-N
XLogP1.30
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.30
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

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
6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 80906337
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563
3-[ethyl-(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 80905442
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80896559
6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80902263
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 80905890) is N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(N(CC2CC2)CC2CC2)c1[N+](=O)[O-].
What is the InChIKey of N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is AHDARCXHBHYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c13-16-11-10(18(19)20)12(15-7-14-11)17(5-8-1-2-8)6-9-3-4-9/h7-9H,1-6,13H2,(H,14,15,16).
What are the key properties of N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 278.32 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80905890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).