4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine

C20H15N3O — CID 75360077

IUPAC4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccco2)n1
InChIInChI=1S/C20H15N3O/c21-20-22-17(13-18(23-20)19-7-4-12-24-19)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H2,21,22,23)
InChIKeyDXZCWNJJROHHOR-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.65
Rot. Bonds3

About 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine

4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine (PubChem CID 75360077) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
PubChem CID75360077
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccco2)n1
InChIInChI=1S/C20H15N3O/c21-20-22-17(13-18(23-20)19-7-4-12-24-19)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H2,21,22,23)
InChIKeyDXZCWNJJROHHOR-UHFFFAOYSA-N
XLogP4.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine (CID 75360077) is 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine is Nc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccco2)n1.
What is the InChIKey of 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The InChIKey is DXZCWNJJROHHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-20-22-17(13-18(23-20)19-7-4-12-24-19)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H2,21,22,23).
What are the key properties of 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine?
4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine has a molecular weight of 313.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75360077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).