6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C19H21N3O3 — CID 17458794

IUPAC6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN(Cc2ccccc2)Cc2ccco2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H21N3O3/c1-20-16(11-18(23)21(2)19(20)24)13-22(14-17-9-6-10-25-17)12-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3
InChIKeyPGWSLXRXLWXSLN-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.88
Rot. Bonds6

About 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 17458794) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID17458794
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN(Cc2ccccc2)Cc2ccco2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H21N3O3/c1-20-16(11-18(23)21(2)19(20)24)13-22(14-17-9-6-10-25-17)12-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3
InChIKeyPGWSLXRXLWXSLN-UHFFFAOYSA-N
XLogP1.88
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 17458794) is 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN(Cc2ccccc2)Cc2ccco2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PGWSLXRXLWXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-20-16(11-18(23)21(2)19(20)24)13-22(14-17-9-6-10-25-17)12-15-7-4-3-5-8-15/h3-11H,12-14H2,1-2H3.
What are the key properties of 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 339.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(furan-2-ylmethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 17458794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).