2-(furan-2-yl)-2,3-dihydro-1H-perimidine

C15H12N2O — CID 647027

IUPAC2-(furan-2-yl)-2,3-dihydro-1H-perimidine
SMILESc1coc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C15H12N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9,15-17H
InChIKeyULYJQHBTOHTGKS-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.97
Rot. Bonds1

About 2-(furan-2-yl)-2,3-dihydro-1H-perimidine

2-(furan-2-yl)-2,3-dihydro-1H-perimidine (PubChem CID 647027) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-2,3-dihydro-1H-perimidine
PubChem CID647027
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-(furan-2-yl)-2,3-dihydro-1H-perimidine
SMILESc1coc(C2Nc3cccc4cccc(c34)N2)c1
InChIInChI=1S/C15H12N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9,15-17H
InChIKeyULYJQHBTOHTGKS-UHFFFAOYSA-N
XLogP3.97
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

2-(2-(2-Furyl)-1-methylvinyl)-2,3-dihydro-1H-perimidine
CID 1990994
Mls003171585
CID 347463
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
2-Furan-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 656251
3-(furan-2-ylmethyl)-2-(4-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 661528
5-(Furan-2-ylmethyl)-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
CID 751610
5-(Furan-2-ylmethyl)-1-(3-methylphenyl)-1,3,5-triazinane-2-thione
CID 751612
1-(2,3-Dimethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 751635
2-(3-fluorophenyl)-3-(2-furylmethyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3236461
2-(Furan-2-yl)-1,2-dihydro-4-quinazolinamine
CID 10899960
N-(2-furylmethyl)-N'-(2-methylphenyl)urea
CID 2787280
1-(2-Ethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 751605

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(furan-2-yl)-2,3-dihydro-1H-perimidine (CID 647027) is 2-(furan-2-yl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(furan-2-yl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(furan-2-yl)-2,3-dihydro-1H-perimidine is c1coc(C2Nc3cccc4cccc(c34)N2)c1.
What is the InChIKey of 2-(furan-2-yl)-2,3-dihydro-1H-perimidine?
The InChIKey is ULYJQHBTOHTGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9,15-17H.
What are the key properties of 2-(furan-2-yl)-2,3-dihydro-1H-perimidine?
2-(furan-2-yl)-2,3-dihydro-1H-perimidine has a molecular weight of 236.27 g/mol, XLogP of 3.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 647027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).