1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione

C20H21N3O2 — CID 4151380

IUPAC1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione
SMILESCN(Cc1ccccc1)c1cc(=O)n(C)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-21(14-16-9-5-3-6-10-16)18-13-19(24)22(2)20(25)23(18)15-17-11-7-4-8-12-17/h3-13H,14-15H2,1-2H3
InChIKeyNRBMPGQJFRCUCO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.23
Rot. Bonds5

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

1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione (PubChem CID 4151380) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione
PubChem CID4151380
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione
SMILESCN(Cc1ccccc1)c1cc(=O)n(C)c(=O)n1Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-21(14-16-9-5-3-6-10-16)18-13-19(24)22(2)20(25)23(18)15-17-11-7-4-8-12-17/h3-13H,14-15H2,1-2H3
InChIKeyNRBMPGQJFRCUCO-UHFFFAOYSA-N
XLogP2.23
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione (CID 4151380) is 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione is CN(Cc1ccccc1)c1cc(=O)n(C)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione?
The InChIKey is NRBMPGQJFRCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-21(14-16-9-5-3-6-10-16)18-13-19(24)22(2)20(25)23(18)15-17-11-7-4-8-12-17/h3-13H,14-15H2,1-2H3.
What are the key properties of 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione?
1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4151380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).