6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione

C18H17N3O2 — CID 2823066

IUPAC6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(N)cc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O2/c1-13-7-5-6-10-15(13)21-16(19)11-17(22)20(18(21)23)12-14-8-3-2-4-9-14/h2-11H,12,19H2,1H3
InChIKeyMCEZTKJBLPQFLQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.94
Rot. Bonds3

About 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione

6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 2823066) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID2823066
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(N)cc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O2/c1-13-7-5-6-10-15(13)21-16(19)11-17(22)20(18(21)23)12-14-8-3-2-4-9-14/h2-11H,12,19H2,1H3
InChIKeyMCEZTKJBLPQFLQ-UHFFFAOYSA-N
XLogP1.94
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 2823066) is 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione is Cc1ccccc1-n1c(N)cc(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is MCEZTKJBLPQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-7-5-6-10-15(13)21-16(19)11-17(22)20(18(21)23)12-14-8-3-2-4-9-14/h2-11H,12,19H2,1H3.
What are the key properties of 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione?
6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 307.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2823066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).