4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine

C19H15N7O2 — CID 22528062

IUPAC4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
SMILESCc1ccc2c(Nc3ncnc(Nc4cccnc4)c3[N+](=O)[O-])cccc2n1
InChIInChI=1S/C19H15N7O2/c1-12-7-8-14-15(23-12)5-2-6-16(14)25-19-17(26(27)28)18(21-11-22-19)24-13-4-3-9-20-10-13/h2-11H,1H3,(H2,21,22,24,25)
InChIKeyWFFMXLWAVMRVCW-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.12
Rot. Bonds5

About 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine

4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine (PubChem CID 22528062) has the molecular formula C19H15N7O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
PubChem CID22528062
Molecular FormulaC19H15N7O2
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
SMILESCc1ccc2c(Nc3ncnc(Nc4cccnc4)c3[N+](=O)[O-])cccc2n1
InChIInChI=1S/C19H15N7O2/c1-12-7-8-14-15(23-12)5-2-6-16(14)25-19-17(26(27)28)18(21-11-22-19)24-13-4-3-9-20-10-13/h2-11H,1H3,(H2,21,22,24,25)
InChIKeyWFFMXLWAVMRVCW-UHFFFAOYSA-N
XLogP4.12
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.12
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-(2,3-dimethylphenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine
CID 23495381
6-N-(3-chloro-4-methylphenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine
CID 23485402
6-N-(2-ethoxyphenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine
CID 22539029
6-N-(2-methylquinolin-5-yl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 22528341
4-N-(2,5-difluorophenyl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine
CID 22538659
4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 23490056
4-N-(2,4-dimethylphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 23495404
4-N-methyl-6-N-(2-methylquinolin-5-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22527055
5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
2-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 23490235
4-N-(2-ethoxyphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528049
6-N-(3,4-dimethylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23484927

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine (CID 22528062) is 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine is Cc1ccc2c(Nc3ncnc(Nc4cccnc4)c3[N+](=O)[O-])cccc2n1.
What is the InChIKey of 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The InChIKey is WFFMXLWAVMRVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O2/c1-12-7-8-14-15(23-12)5-2-6-16(14)25-19-17(26(27)28)18(21-11-22-19)24-13-4-3-9-20-10-13/h2-11H,1H3,(H2,21,22,24,25).
What are the key properties of 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine has a molecular weight of 373.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 22528062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).