N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine

C14H13N7O2 — CID 22527405

IUPACN-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(Nc3ncnc(NN)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C14H13N7O2/c1-8-5-6-9-3-2-4-10(11(9)18-8)19-13-12(21(22)23)14(20-15)17-7-16-13/h2-7H,15H2,1H3,(H2,16,17,19,20)
InChIKeyTVSIQDCMFFCCIV-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.27
Rot. Bonds4

About N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine

N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine (PubChem CID 22527405) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine
PubChem CID22527405
Molecular FormulaC14H13N7O2
Molecular Weight311.31 g/mol
Exact Mass311.11
IUPAC NameN-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(Nc3ncnc(NN)c3[N+](=O)[O-])c2n1
InChIInChI=1S/C14H13N7O2/c1-8-5-6-9-3-2-4-10(11(9)18-8)19-13-12(21(22)23)14(20-15)17-7-16-13/h2-7H,15H2,1H3,(H2,16,17,19,20)
InChIKeyTVSIQDCMFFCCIV-UHFFFAOYSA-N
XLogP2.27
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.27
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

4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23480836
4-N-(4-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23483757
6-N-(3-chloro-4-methylphenyl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23485264
6-N-hexadecyl-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23494447
2-methyl-N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]quinolin-8-amine
CID 23490652
2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
CID 23492081
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine
CID 22527458
6-N-naphthalen-1-yl-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527211
6-N-(2,3-dimethylphenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine
CID 23495381
5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527227
6-N-(2-chlorophenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527235
6-(2-methylquinolin-8-yl)oxy-5-nitro-N-phenylpyrimidin-4-amine
CID 23493985

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine?
The IUPAC name of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine (CID 22527405) is N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine.
What is the SMILES notation for N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine?
The canonical SMILES for N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine is Cc1ccc2cccc(Nc3ncnc(NN)c3[N+](=O)[O-])c2n1.
What is the InChIKey of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine?
The InChIKey is TVSIQDCMFFCCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c1-8-5-6-9-3-2-4-10(11(9)18-8)19-13-12(21(22)23)14(20-15)17-7-16-13/h2-7H,15H2,1H3,(H2,16,17,19,20).
What are the key properties of N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine?
N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine has a molecular weight of 311.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine is sourced from PubChem (CID 22527405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).