N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine

C15H15N7O2 — CID 22528153

IUPACN-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
SMILESCN(C)Nc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N7O2/c1-21(2)20-15-13(22(23)24)14(17-9-18-15)19-12-7-3-6-11-10(12)5-4-8-16-11/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyBWTDKLVXHWWPNB-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.57
Rot. Bonds5

About N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine

N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine (PubChem CID 22528153) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine.

Molecular Properties

Compound NameN-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
PubChem CID22528153
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
SMILESCN(C)Nc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N7O2/c1-21(2)20-15-13(22(23)24)14(17-9-18-15)19-12-7-3-6-11-10(12)5-4-8-16-11/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyBWTDKLVXHWWPNB-UHFFFAOYSA-N
XLogP2.57
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527503
6-N-(3,4-dimethylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23484927
4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23483626
6-N-(3-bromophenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22537646
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22531222
4-N-(5-chloro-2-methoxyphenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23484714
6-N-(3-chloro-4-methylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23485353
5-nitro-6-N-(2-phenylethyl)-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23490007
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)quinolin-5-amine
CID 22537695
4-methyl-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22535108
N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22537689

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine?
The IUPAC name of N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine (CID 22528153) is N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine.
What is the SMILES notation for N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine?
The canonical SMILES for N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine is CN(C)Nc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-].
What is the InChIKey of N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine?
The InChIKey is BWTDKLVXHWWPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-21(2)20-15-13(22(23)24)14(17-9-18-15)19-12-7-3-6-11-10(12)5-4-8-16-11/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine?
N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine has a molecular weight of 325.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine is sourced from PubChem (CID 22528153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).