3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C10H17N7O3 — CID 106280909

IUPAC3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O3/c1-10(2,8(18)12-3)5-14-7-6(17(19)20)4-13-9(15-7)16-11/h4H,5,11H2,1-3H3,(H,12,18)(H2,13,14,15,16)
InChIKeyIQEVCTBRLLQYJM-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.15
Rot. Bonds6

About 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106280909) has the molecular formula C10H17N7O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106280909
Molecular FormulaC10H17N7O3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O3/c1-10(2,8(18)12-3)5-14-7-6(17(19)20)4-13-9(15-7)16-11/h4H,5,11H2,1-3H3,(H,12,18)(H2,13,14,15,16)
InChIKeyIQEVCTBRLLQYJM-UHFFFAOYSA-N
XLogP-0.15
TPSA148.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
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

3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280884
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
3-[(2-chloro-5-nitropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106279542
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280684
3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280898
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
CID 103823303
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
tert-butyl N-[1-[[2-(tert-butylamino)-5-nitropyrimidin-4-yl]amino]-2-methylpropan-2-yl]carbamate
CID 140821913
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106043390
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
methyl 2-[[2-[(2-methoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]amino]acetate
CID 100912999
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103690

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 106280909) is 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc(NN)ncc1[N+](=O)[O-].
What is the InChIKey of 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is IQEVCTBRLLQYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O3/c1-10(2,8(18)12-3)5-14-7-6(17(19)20)4-13-9(15-7)16-11/h4H,5,11H2,1-3H3,(H,12,18)(H2,13,14,15,16).
What are the key properties of 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 283.29 g/mol, XLogP of -0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).