N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine

C13H16N6O2 — CID 23488119

IUPACN-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCN(C)Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N6O2/c1-18(2)17-13-11(19(20)21)12(15-9-16-13)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyMIQWBBWYKLRYKU-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.89
Rot. Bonds6

About N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine

N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 23488119) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID23488119
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCN(C)Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H16N6O2/c1-18(2)17-13-11(19(20)21)12(15-9-16-13)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyMIQWBBWYKLRYKU-UHFFFAOYSA-N
XLogP1.89
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488128
4-N-benzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487265
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22531801
4-N-methyl-6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526966
N-[4-[[6-(benzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 23488211
6-N-benzyl-4-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23480318
N-[(4-methylphenyl)methyl]-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 22526677
6-N-benzyl-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 23478898
6-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22528115
6-(2,2-dimethylhydrazinyl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 22528158
6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine (CID 23488119) is N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine is CN(C)Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is MIQWBBWYKLRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-18(2)17-13-11(19(20)21)12(15-9-16-13)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine?
N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23488119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).