6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine

C16H11N3O — CID 653558

IUPAC6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(-n4cccc4)ncnc3o2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-12(7-3-1)14-10-13-15(19-8-4-5-9-19)17-11-18-16(13)20-14/h1-11H
InChIKeyYENSLLPLIAMTRS-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.68
Rot. Bonds2

About 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine

6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine (PubChem CID 653558) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine
PubChem CID653558
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(-n4cccc4)ncnc3o2)cc1
InChIInChI=1S/C16H11N3O/c1-2-6-12(7-3-1)14-10-13-15(19-8-4-5-9-19)17-11-18-16(13)20-14/h1-11H
InChIKeyYENSLLPLIAMTRS-UHFFFAOYSA-N
XLogP3.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 1583275
2-((5,6-Diphenylfuro(2,3-D)pyrimidin-4-YL)amino)ethanol
CID 1587957
5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 17756743
5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine
CID 290208
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide
CID 6539738
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide
CID 6539740
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide
CID 6539741
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide
CID 6539742
2-cyclopentyl-N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]acetamide
CID 6539743
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 15
CID 6539749
N-[6-(4-methylphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide
CID 6539751
N-[6-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide
CID 6539752

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine?
The IUPAC name of 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine (CID 653558) is 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine is c1ccc(-c2cc3c(-n4cccc4)ncnc3o2)cc1.
What is the InChIKey of 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine?
The InChIKey is YENSLLPLIAMTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-6-12(7-3-1)14-10-13-15(19-8-4-5-9-19)17-11-18-16(13)20-14/h1-11H.
What are the key properties of 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine?
6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine has a molecular weight of 261.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-pyrrol-1-ylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 653558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).