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

C12H9N3O — CID 44551744

IUPAC4-(1-benzofuran-2-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H9N3O/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15)
InChIKeyITLPAUBPNYYULH-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.47
Rot. Bonds1

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

4-(1-benzofuran-2-yl)pyrimidin-2-amine (PubChem CID 44551744) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)pyrimidin-2-amine
PubChem CID44551744
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-(1-benzofuran-2-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H9N3O/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15)
InChIKeyITLPAUBPNYYULH-UHFFFAOYSA-N
XLogP2.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)pyrimidin-2-amine (CID 44551744) is 4-(1-benzofuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)pyrimidin-2-amine is Nc1nccc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)pyrimidin-2-amine?
The InChIKey is ITLPAUBPNYYULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H2,13,14,15).
What are the key properties of 4-(1-benzofuran-2-yl)pyrimidin-2-amine?
4-(1-benzofuran-2-yl)pyrimidin-2-amine has a molecular weight of 211.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44551744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).