5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine

C22H15N7O2 — CID 22537644

IUPAC5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C22H15N7O2/c30-29(31)20-21(27-18-9-1-7-16-14(18)5-3-11-23-16)25-13-26-22(20)28-19-10-2-8-17-15(19)6-4-12-24-17/h1-13H,(H2,25,26,27,28)
InChIKeyLUOUJPLTIGBHLV-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.97
Rot. Bonds5

About 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine

5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine (PubChem CID 22537644) has the molecular formula C22H15N7O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
PubChem CID22537644
Molecular FormulaC22H15N7O2
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C22H15N7O2/c30-29(31)20-21(27-18-9-1-7-16-14(18)5-3-11-23-16)25-13-26-22(20)28-19-10-2-8-17-15(19)6-4-12-24-17/h1-13H,(H2,25,26,27,28)
InChIKeyLUOUJPLTIGBHLV-UHFFFAOYSA-N
XLogP4.97
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.97
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

N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22528153
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
6-N-(3,4-dimethylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23484927
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22531222
5-nitro-6-N-(2-phenylethyl)-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23490007
6-N-[(4-fluorophenyl)methyl]-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22537665
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
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
2-chloro-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22535872

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine (CID 22537644) is 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2cccc3ncccc23)ncnc1Nc1cccc2ncccc12.
What is the InChIKey of 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine?
The InChIKey is LUOUJPLTIGBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7O2/c30-29(31)20-21(27-18-9-1-7-16-14(18)5-3-11-23-16)25-13-26-22(20)28-19-10-2-8-17-15(19)6-4-12-24-17/h1-13H,(H2,25,26,27,28).
What are the key properties of 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine?
5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine has a molecular weight of 409.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 22537644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).