4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine

C17H13N5O — CID 14347116

IUPAC4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3ccco3)n2)cc(-n2ccnc2)c1
InChIInChI=1S/C17H13N5O/c1-3-13(11-14(4-1)22-9-8-18-12-22)20-17-19-7-6-15(21-17)16-5-2-10-23-16/h1-12H,(H,19,20,21)
InChIKeyGIUCNWDFAINESV-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.67
Rot. Bonds4

About 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine

4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine (PubChem CID 14347116) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine
PubChem CID14347116
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3ccco3)n2)cc(-n2ccnc2)c1
InChIInChI=1S/C17H13N5O/c1-3-13(11-14(4-1)22-9-8-18-12-22)20-17-19-7-6-15(21-17)16-5-2-10-23-16/h1-12H,(H,19,20,21)
InChIKeyGIUCNWDFAINESV-UHFFFAOYSA-N
XLogP3.67
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine (CID 14347116) is 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine is c1cc(Nc2nccc(-c3ccco3)n2)cc(-n2ccnc2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine?
The InChIKey is GIUCNWDFAINESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-3-13(11-14(4-1)22-9-8-18-12-22)20-17-19-7-6-15(21-17)16-5-2-10-23-16/h1-12H,(H,19,20,21).
What are the key properties of 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine?
4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(3-imidazol-1-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 14347116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).