1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine

C16H17N3O — CID 63089399

IUPAC1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(-c2cc3ccccc3o2)nc1
InChIInChI=1S/C16H17N3O/c1-2-13(17)7-11-9-18-16(19-10-11)15-8-12-5-3-4-6-14(12)20-15/h3-6,8-10,13H,2,7,17H2,1H3
InChIKeyCIXFJVMFLDRIQO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.17
Rot. Bonds4

About 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine

1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine (PubChem CID 63089399) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
PubChem CID63089399
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(-c2cc3ccccc3o2)nc1
InChIInChI=1S/C16H17N3O/c1-2-13(17)7-11-9-18-16(19-10-11)15-8-12-5-3-4-6-14(12)20-15/h3-6,8-10,13H,2,7,17H2,1H3
InChIKeyCIXFJVMFLDRIQO-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine (CID 63089399) is 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine is CCC(N)Cc1cnc(-c2cc3ccccc3o2)nc1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine?
The InChIKey is CIXFJVMFLDRIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-13(17)7-11-9-18-16(19-10-11)15-8-12-5-3-4-6-14(12)20-15/h3-6,8-10,13H,2,7,17H2,1H3.
What are the key properties of 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine?
1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 63089399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).