N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine

C18H18N6O — CID 11580817

IUPACN'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNc1nc(-c2ccco2)nc2c1nnc1ccccc12
InChIInChI=1S/C18H18N6O/c1-19-9-5-10-20-18-16-15(12-6-2-3-7-13(12)23-24-16)21-17(22-18)14-8-4-11-25-14/h2-4,6-8,11,19H,5,9-10H2,1H3,(H,20,21,22)
InChIKeySKUFNMBQAVRJSM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.85
Rot. Bonds6

About N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine

N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine (PubChem CID 11580817) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine
PubChem CID11580817
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine
SMILESCNCCCNc1nc(-c2ccco2)nc2c1nnc1ccccc12
InChIInChI=1S/C18H18N6O/c1-19-9-5-10-20-18-16-15(12-6-2-3-7-13(12)23-24-16)21-17(22-18)14-8-4-11-25-14/h2-4,6-8,11,19H,5,9-10H2,1H3,(H,20,21,22)
InChIKeySKUFNMBQAVRJSM-UHFFFAOYSA-N
XLogP2.85
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine (CID 11580817) is N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine is CNCCCNc1nc(-c2ccco2)nc2c1nnc1ccccc12.
What is the InChIKey of N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine?
The InChIKey is SKUFNMBQAVRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-19-9-5-10-20-18-16-15(12-6-2-3-7-13(12)23-24-16)21-17(22-18)14-8-4-11-25-14/h2-4,6-8,11,19H,5,9-10H2,1H3,(H,20,21,22).
What are the key properties of N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine?
N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine has a molecular weight of 334.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)pyrimido[5,4-c]cinnolin-4-yl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 11580817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).