4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine

C19H15N3O2 — CID 11381541

IUPAC4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1
InChIInChI=1S/C19H15N3O2/c1-23-14-8-6-12(7-9-14)15-11-16(22-19(20)21-15)18-10-13-4-2-3-5-17(13)24-18/h2-11H,1H3,(H2,20,21,22)
InChIKeyIQWLQUXEBJKPSF-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.15
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine

4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 11381541) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID11381541
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1
InChIInChI=1S/C19H15N3O2/c1-23-14-8-6-12(7-9-14)15-11-16(22-19(20)21-15)18-10-13-4-2-3-5-17(13)24-18/h2-11H,1H3,(H2,20,21,22)
InChIKeyIQWLQUXEBJKPSF-UHFFFAOYSA-N
XLogP4.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine (CID 11381541) is 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is IQWLQUXEBJKPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-23-14-8-6-12(7-9-14)15-11-16(22-19(20)21-15)18-10-13-4-2-3-5-17(13)24-18/h2-11H,1H3,(H2,20,21,22).
What are the key properties of 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 11381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).