5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine

C18H13N7O2 — CID 22527227

IUPAC5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccn2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C18H13N7O2/c26-25(27)16-17(21-11-22-18(16)24-14-8-1-2-9-19-14)23-13-7-3-5-12-6-4-10-20-15(12)13/h1-11H,(H2,19,21,22,23,24)
InChIKeyAKXOCBAEWVBRNA-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.82
Rot. Bonds5

About 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine

5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine (PubChem CID 22527227) has the molecular formula C18H13N7O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
PubChem CID22527227
Molecular FormulaC18H13N7O2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccn2)ncnc1Nc1cccc2cccnc12
InChIInChI=1S/C18H13N7O2/c26-25(27)16-17(21-11-22-18(16)24-14-8-1-2-9-19-14)23-13-7-3-5-12-6-4-10-20-15(12)13/h1-11H,(H2,19,21,22,23,24)
InChIKeyAKXOCBAEWVBRNA-UHFFFAOYSA-N
XLogP3.82
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.82
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

6-N-naphthalen-1-yl-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527211
6-N-(2-chlorophenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527235
5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 23483536
6-N-(2-methoxyethyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527261
4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23480836
N-pyridin-2-ylquinolin-8-amine
CID 82537542
4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22526326
6-N-(4-ethoxyphenyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527248
4-N-(4-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23483757
6-N-(3-methoxypropyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22526477
6-N-(1,3-benzodioxol-5-yl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 23480603

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine (CID 22527227) is 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2ccccn2)ncnc1Nc1cccc2cccnc12.
What is the InChIKey of 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
The InChIKey is AKXOCBAEWVBRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O2/c26-25(27)16-17(21-11-22-18(16)24-14-8-1-2-9-19-14)23-13-7-3-5-12-6-4-10-20-15(12)13/h1-11H,(H2,19,21,22,23,24).
What are the key properties of 5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine has a molecular weight of 359.35 g/mol, XLogP of 3.82, 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-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 22527227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).