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

C7H13N7O4S — CID 106341005

IUPAC2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C7H13N7O4S/c1-9-19(17,18)3-2-10-6-5(14(15)16)7(13-8)12-4-11-6/h4,9H,2-3,8H2,1H3,(H2,10,11,12,13)
InChIKeyRZPZVKLHELWKSQ-UHFFFAOYSA-N
MW291.29 g/mol
LogP-1.37
Rot. Bonds7

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

2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106341005) has the molecular formula C7H13N7O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106341005
Molecular FormulaC7H13N7O4S
Molecular Weight291.29 g/mol
Exact Mass291.07
IUPAC Name2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C7H13N7O4S/c1-9-19(17,18)3-2-10-6-5(14(15)16)7(13-8)12-4-11-6/h4,9H,2-3,8H2,1H3,(H2,10,11,12,13)
InChIKeyRZPZVKLHELWKSQ-UHFFFAOYSA-N
XLogP-1.37
TPSA165.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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,N-dimethyl-2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanesulfonamide
CID 106343456
4-N-(2-methylsulfonylethyl)-5-nitropyrimidine-4,6-diamine
CID 80791793
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787351
6-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)-5-nitropyrimidin-4-amine
CID 102908987
4-N-[2-(dimethylamino)ethyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 113221961
6-N-methyl-5-nitro-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 102809321
N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80910265
ethyl 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]acetate
CID 80899244
6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327655
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 106341005) is 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is RZPZVKLHELWKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N7O4S/c1-9-19(17,18)3-2-10-6-5(14(15)16)7(13-8)12-4-11-6/h4,9H,2-3,8H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 291.29 g/mol, XLogP of -1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106341005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).