5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C20H24N4O3 — CID 128997145

IUPAC5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN(Cc2cc3ccccc3o2)C2CCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C20H24N4O3/c1-22-11-15(19(25)23(2)20(22)26)12-24(16-7-8-21-10-16)13-17-9-14-5-3-4-6-18(14)27-17/h3-6,9,11,16,21H,7-8,10,12-13H2,1-2H3
InChIKeyAFPXVTFJNLHLGO-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.19
Rot. Bonds5

About 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 128997145) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID128997145
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CN(Cc2cc3ccccc3o2)C2CCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C20H24N4O3/c1-22-11-15(19(25)23(2)20(22)26)12-24(16-7-8-21-10-16)13-17-9-14-5-3-4-6-18(14)27-17/h3-6,9,11,16,21H,7-8,10,12-13H2,1-2H3
InChIKeyAFPXVTFJNLHLGO-UHFFFAOYSA-N
XLogP1.19
TPSA72.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 128997145) is 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CN(Cc2cc3ccccc3o2)C2CCNC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AFPXVTFJNLHLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-11-15(19(25)23(2)20(22)26)12-24(16-7-8-21-10-16)13-17-9-14-5-3-4-6-18(14)27-17/h3-6,9,11,16,21H,7-8,10,12-13H2,1-2H3.
What are the key properties of 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 368.44 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 128997145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).