6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione

C13H15N3O2 — CID 146018694

IUPAC6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione
SMILESCN(CC1=NC(=O)NC(=O)C1)Cc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18)
InChIKeyRNBXCVLIBKJIGQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.20
Rot. Bonds4

About 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione

6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione (PubChem CID 146018694) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione
PubChem CID146018694
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione
SMILESCN(CC1=NC(=O)NC(=O)C1)Cc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18)
InChIKeyRNBXCVLIBKJIGQ-UHFFFAOYSA-N
XLogP1.20
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione (CID 146018694) is 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione is CN(CC1=NC(=O)NC(=O)C1)Cc1ccccc1.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione?
The InChIKey is RNBXCVLIBKJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18).
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione?
6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 146018694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).