1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

C10H15N7O3 — CID 80905129

IUPAC1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O3/c1-12-10(18)6-3-2-4-16(6)9-7(17(19)20)8(15-11)13-5-14-9/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyZWYZSBKEUDJILE-UHFFFAOYSA-N
MW281.28 g/mol
LogP-0.61
Rot. Bonds4

About 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 80905129) has the molecular formula C10H15N7O3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID80905129
Molecular FormulaC10H15N7O3
Molecular Weight281.28 g/mol
Exact Mass281.12
IUPAC Name1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N7O3/c1-12-10(18)6-3-2-4-16(6)9-7(17(19)20)8(15-11)13-5-14-9/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyZWYZSBKEUDJILE-UHFFFAOYSA-N
XLogP-0.61
TPSA139.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806765
1-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80919325
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785994
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785472
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23486885
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 80823234
1-[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80901623
N-(2-amino-2-oxoethyl)-1-[6-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 3859374
[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 80896386
N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 47282456
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905623

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 80905129) is 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZWYZSBKEUDJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O3/c1-12-10(18)6-3-2-4-16(6)9-7(17(19)20)8(15-11)13-5-14-9/h5-6H,2-4,11H2,1H3,(H,12,18)(H,13,14,15).
What are the key properties of 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80905129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).