6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine

C20H18Cl2N8O2 — CID 59313019

IUPAC6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H18Cl2N8O2/c21-12-2-3-13(14(22)10-12)15-11-18-25-8-9-29(18)20(27-15)26-7-1-6-24-17-5-4-16(30(31)32)19(23)28-17/h2-5,8-11H,1,6-7H2,(H,26,27)(H3,23,24,28)
InChIKeyHWQYNBYEDRWHGG-UHFFFAOYSA-N
MW473.32 g/mol
LogP4.50
Rot. Bonds8

About 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine

6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine (PubChem CID 59313019) has the molecular formula C20H18Cl2N8O2 and a molecular weight of 473.32 g/mol. Its IUPAC name is 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine
PubChem CID59313019
Molecular FormulaC20H18Cl2N8O2
Molecular Weight473.32 g/mol
Exact Mass472.09
IUPAC Name6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H18Cl2N8O2/c21-12-2-3-13(14(22)10-12)15-11-18-25-8-9-29(18)20(27-15)26-7-1-6-24-17-5-4-16(30(31)32)19(23)28-17/h2-5,8-11H,1,6-7H2,(H,26,27)(H3,23,24,28)
InChIKeyHWQYNBYEDRWHGG-UHFFFAOYSA-N
XLogP4.50
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine (CID 59313019) is 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine is Nc1nc(NCCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine?
The InChIKey is HWQYNBYEDRWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N8O2/c21-12-2-3-13(14(22)10-12)15-11-18-25-8-9-29(18)20(27-15)26-7-1-6-24-17-5-4-16(30(31)32)19(23)28-17/h2-5,8-11H,1,6-7H2,(H,26,27)(H3,23,24,28).
What are the key properties of 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine?
6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine has a molecular weight of 473.32 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 59313019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).