2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C21H20N4O2 — CID 137263151

IUPAC2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3cc4ccccc4o3)nc2)n1
InChIInChI=1S/C21H20N4O2/c1-3-16-11-20(26)24-21(23-16)15-8-9-19(22-12-15)25(2)13-17-10-14-6-4-5-7-18(14)27-17/h4-12H,3,13H2,1-2H3,(H,23,24,26)
InChIKeyZDRNNOABBJKJNM-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.78
Rot. Bonds5

About 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137263151) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137263151
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3cc4ccccc4o3)nc2)n1
InChIInChI=1S/C21H20N4O2/c1-3-16-11-20(26)24-21(23-16)15-8-9-19(22-12-15)25(2)13-17-10-14-6-4-5-7-18(14)27-17/h4-12H,3,13H2,1-2H3,(H,23,24,26)
InChIKeyZDRNNOABBJKJNM-UHFFFAOYSA-N
XLogP3.78
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137263151) is 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3cc4ccccc4o3)nc2)n1.
What is the InChIKey of 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is ZDRNNOABBJKJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-16-11-20(26)24-21(23-16)15-8-9-19(22-12-15)25(2)13-17-10-14-6-4-5-7-18(14)27-17/h4-12H,3,13H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 360.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-benzofuran-2-ylmethyl(methyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137263151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).