1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one

C16H17N3O2 — CID 63206430

IUPAC1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one
SMILESCNC(Cn1cc(C)cnc1=O)c1cc2ccccc2o1
InChIInChI=1S/C16H17N3O2/c1-11-8-18-16(20)19(9-11)10-13(17-2)15-7-12-5-3-4-6-14(12)21-15/h3-9,13,17H,10H2,1-2H3
InChIKeyYBTHUTGZXWKFJF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one

1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one (PubChem CID 63206430) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one
PubChem CID63206430
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one
SMILESCNC(Cn1cc(C)cnc1=O)c1cc2ccccc2o1
InChIInChI=1S/C16H17N3O2/c1-11-8-18-16(20)19(9-11)10-13(17-2)15-7-12-5-3-4-6-14(12)21-15/h3-9,13,17H,10H2,1-2H3
InChIKeyYBTHUTGZXWKFJF-UHFFFAOYSA-N
XLogP2.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one (CID 63206430) is 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one is CNC(Cn1cc(C)cnc1=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one?
The InChIKey is YBTHUTGZXWKFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-8-18-16(20)19(9-11)10-13(17-2)15-7-12-5-3-4-6-14(12)21-15/h3-9,13,17H,10H2,1-2H3.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one?
1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-2-(methylamino)ethyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).