4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

C19H15N3O2 — CID 14347093

IUPAC4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3cc4ccccc4o3)n2)c1
InChIInChI=1S/C19H15N3O2/c1-23-15-7-4-6-14(12-15)21-19-20-10-9-16(22-19)18-11-13-5-2-3-8-17(13)24-18/h2-12H,1H3,(H,20,21,22)
InChIKeyKPSOMZJFKZIUBP-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.64
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine

4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 14347093) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID14347093
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3cc4ccccc4o3)n2)c1
InChIInChI=1S/C19H15N3O2/c1-23-15-7-4-6-14(12-15)21-19-20-10-9-16(22-19)18-11-13-5-2-3-8-17(13)24-18/h2-12H,1H3,(H,20,21,22)
InChIKeyKPSOMZJFKZIUBP-UHFFFAOYSA-N
XLogP4.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.64
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)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CID 14347093) is 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-c3cc4ccccc4o3)n2)c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is KPSOMZJFKZIUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-23-15-7-4-6-14(12-15)21-19-20-10-9-16(22-19)18-11-13-5-2-3-8-17(13)24-18/h2-12H,1H3,(H,20,21,22).
What are the key properties of 4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 4.64, 4 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)-N-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 14347093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).