methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

C21H24N8O3 — CID 145476615

IUPACmethane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESC.COc1ccc(-c2cc3nccn3c(NCCNc3ccc([N+](=O)[O-])c(C)n3)n2)cn1
InChIInChI=1S/C20H20N8O3.CH4/c1-13-16(28(29)30)4-5-17(25-13)21-7-8-23-20-26-15(11-18-22-9-10-27(18)20)14-3-6-19(31-2)24-12-14;/h3-6,9-12H,7-8H2,1-2H3,(H,21,25)(H,23,26);1H4
InChIKeyQBMZOGMHHZZKJV-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.57
Rot. Bonds8

About methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 145476615) has the molecular formula C21H24N8O3 and a molecular weight of 436.48 g/mol. Its IUPAC name is methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Namemethane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID145476615
Molecular FormulaC21H24N8O3
Molecular Weight436.48 g/mol
Exact Mass436.20
IUPAC Namemethane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESC.COc1ccc(-c2cc3nccn3c(NCCNc3ccc([N+](=O)[O-])c(C)n3)n2)cn1
InChIInChI=1S/C20H20N8O3.CH4/c1-13-16(28(29)30)4-5-17(25-13)21-7-8-23-20-26-15(11-18-22-9-10-27(18)20)14-3-6-19(31-2)24-12-14;/h3-6,9-12H,7-8H2,1-2H3,(H,21,25)(H,23,26);1H4
InChIKeyQBMZOGMHHZZKJV-UHFFFAOYSA-N
XLogP3.57
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 145476615) is methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is C.COc1ccc(-c2cc3nccn3c(NCCNc3ccc([N+](=O)[O-])c(C)n3)n2)cn1.
What is the InChIKey of methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is QBMZOGMHHZZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O3.CH4/c1-13-16(28(29)30)4-5-17(25-13)21-7-8-23-20-26-15(11-18-22-9-10-27(18)20)14-3-6-19(31-2)24-12-14;/h3-6,9-12H,7-8H2,1-2H3,(H,21,25)(H,23,26);1H4.
What are the key properties of methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 436.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N'-[7-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-yl]-N-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 145476615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).