2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine

C14H13N3O — CID 55133578

IUPAC2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H13N3O/c1-2-15-13-7-8-16-14(17-13)12-9-10-5-3-4-6-11(10)18-12/h3-9H,2H2,1H3,(H,15,16,17)
InChIKeyFWORQRLBRJKKJN-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.32
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine

2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine (PubChem CID 55133578) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
PubChem CID55133578
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C14H13N3O/c1-2-15-13-7-8-16-14(17-13)12-9-10-5-3-4-6-11(10)18-12/h3-9H,2H2,1H3,(H,15,16,17)
InChIKeyFWORQRLBRJKKJN-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine (CID 55133578) is 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is FWORQRLBRJKKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-15-13-7-8-16-14(17-13)12-9-10-5-3-4-6-11(10)18-12/h3-9H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine?
2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 55133578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).