2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C9H15N7O3 — CID 80897150

IUPAC2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncnc(NN)c1[N+](=O)[O-])C(=O)N(C)C
InChIInChI=1S/C9H15N7O3/c1-5(9(17)15(2)3)13-7-6(16(18)19)8(14-10)12-4-11-7/h4-5H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyNXZMHLRTEVUUHK-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.44
Rot. Bonds5

About 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide

2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80897150) has the molecular formula C9H15N7O3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID80897150
Molecular FormulaC9H15N7O3
Molecular Weight269.27 g/mol
Exact Mass269.12
IUPAC Name2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncnc(NN)c1[N+](=O)[O-])C(=O)N(C)C
InChIInChI=1S/C9H15N7O3/c1-5(9(17)15(2)3)13-7-6(16(18)19)8(14-10)12-4-11-7/h4-5H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyNXZMHLRTEVUUHK-UHFFFAOYSA-N
XLogP-0.44
TPSA139.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.44
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

6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80895976
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-5-nitropyrimidin-4-amine
CID 102908987
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907034
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80901595
2-[(2-chloro-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 114043204
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanylbutan-1-ol
CID 80927305
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 80897150) is 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CC(Nc1ncnc(NN)c1[N+](=O)[O-])C(=O)N(C)C.
What is the InChIKey of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is NXZMHLRTEVUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7O3/c1-5(9(17)15(2)3)13-7-6(16(18)19)8(14-10)12-4-11-7/h4-5H,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 269.27 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80897150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).