3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium

C19H21N4O3+ — CID 7644080

IUPAC3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
InChIInChI=1S/C19H20N4O3/c1-23(2)9-5-8-20-18-16-15(13-6-3-10-24-13)17(14-7-4-11-25-14)26-19(16)22-12-21-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,21,22)/p+1
InChIKeyPFMILCZJCYKEIP-UHFFFAOYSA-O
MW353.40 g/mol
LogP2.69
Rot. Bonds7

About 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium

3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium (PubChem CID 7644080) has the molecular formula C19H21N4O3+ and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium
PubChem CID7644080
Molecular FormulaC19H21N4O3+
Molecular Weight353.40 g/mol
Exact Mass353.16
IUPAC Name3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
InChIInChI=1S/C19H20N4O3/c1-23(2)9-5-8-20-18-16-15(13-6-3-10-24-13)17(14-7-4-11-25-14)26-19(16)22-12-21-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,21,22)/p+1
InChIKeyPFMILCZJCYKEIP-UHFFFAOYSA-O
XLogP2.69
TPSA81.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium (CID 7644080) is 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium is C[NH+](C)CCCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12.
What is the InChIKey of 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium?
The InChIKey is PFMILCZJCYKEIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N4O3/c1-23(2)9-5-8-20-18-16-15(13-6-3-10-24-13)17(14-7-4-11-25-14)26-19(16)22-12-21-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,21,22)/p+1.
What are the key properties of 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium?
3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium has a molecular weight of 353.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium is sourced from PubChem (CID 7644080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).