4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine

C20H17N7O2 — CID 23480836

IUPAC4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])n1
InChIInChI=1S/C20H17N7O2/c1-12-5-3-8-16(23-12)26-20-18(27(28)29)19(21-11-22-20)25-15-7-4-6-14-10-9-13(2)24-17(14)15/h3-11H,1-2H3,(H2,21,22,23,25,26)
InChIKeyZXBIPHOSISYTEK-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.43
Rot. Bonds5

About 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine

4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine (PubChem CID 23480836) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
PubChem CID23480836
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])n1
InChIInChI=1S/C20H17N7O2/c1-12-5-3-8-16(23-12)26-20-18(27(28)29)19(21-11-22-20)25-15-7-4-6-14-10-9-13(2)24-17(14)15/h3-11H,1-2H3,(H2,21,22,23,25,26)
InChIKeyZXBIPHOSISYTEK-UHFFFAOYSA-N
XLogP4.43
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.43
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'}

Analyze 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methylquinolin-8-amine
CID 22527405
4-N-(4-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23483757
6-N-hexadecyl-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23494447
6-N-(3-chloro-4-methylphenyl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23485264
5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527227
4-N-cyclopentyl-6-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480950
6-N-(3,4-dimethylphenyl)-4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480767
2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
CID 23492081
N-(6-methyl-2-pyridinyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine
CID 23480980
2-methyl-N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]quinolin-8-amine
CID 23490652
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine
CID 22527458
4-N-(1-methoxypropan-2-yl)-6-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480956

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine (CID 23480836) is 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2[N+](=O)[O-])n1.
What is the InChIKey of 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine?
The InChIKey is ZXBIPHOSISYTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-12-5-3-8-16(23-12)26-20-18(27(28)29)19(21-11-22-20)25-15-7-4-6-14-10-9-13(2)24-17(14)15/h3-11H,1-2H3,(H2,21,22,23,25,26).
What are the key properties of 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine?
4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine has a molecular weight of 387.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 23480836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).