1,3-dibenzyl-6-methylpyrimidine-2,4-dione

C19H18N2O2 — CID 764990

IUPAC1,3-dibenzyl-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c1-15-12-18(22)21(14-17-10-6-3-7-11-17)19(23)20(15)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3
InChIKeyJMEQRQUZONDCEX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.42
Rot. Bonds4

About 1,3-dibenzyl-6-methylpyrimidine-2,4-dione

1,3-dibenzyl-6-methylpyrimidine-2,4-dione (PubChem CID 764990) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,3-dibenzyl-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-6-methylpyrimidine-2,4-dione
PubChem CID764990
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1,3-dibenzyl-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c1-15-12-18(22)21(14-17-10-6-3-7-11-17)19(23)20(15)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3
InChIKeyJMEQRQUZONDCEX-UHFFFAOYSA-N
XLogP2.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dibenzyl-6-methylpyrimidine-2,4-dione (CID 764990) is 1,3-dibenzyl-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-6-methylpyrimidine-2,4-dione is Cc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-6-methylpyrimidine-2,4-dione?
The InChIKey is JMEQRQUZONDCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-15-12-18(22)21(14-17-10-6-3-7-11-17)19(23)20(15)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3.
What are the key properties of 1,3-dibenzyl-6-methylpyrimidine-2,4-dione?
1,3-dibenzyl-6-methylpyrimidine-2,4-dione has a molecular weight of 306.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 764990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).