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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Related Compounds

2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
CID 82381604
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 63090960
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
CID 166230203
2-[[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073618
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63091296
4-[5-(2-aminobutyl)pyrimidin-2-yl]benzene-1,2-diol
CID 136889447
4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 114734487
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
CID 55133578

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).