5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C20H20N2O3 — CID 11975774

IUPAC5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15-18(12-16-8-4-2-5-9-16)19(23)21-20(24)22(15)14-25-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,21,23,24)
InChIKeyRCNMPRLEZYJTNH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.61
Rot. Bonds6

About 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 11975774) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID11975774
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15-18(12-16-8-4-2-5-9-16)19(23)21-20(24)22(15)14-25-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,21,23,24)
InChIKeyRCNMPRLEZYJTNH-UHFFFAOYSA-N
XLogP2.61
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 11975774) is 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1c(Cc2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1.
What is the InChIKey of 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is RCNMPRLEZYJTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-15-18(12-16-8-4-2-5-9-16)19(23)21-20(24)22(15)14-25-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,21,23,24).
What are the key properties of 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 336.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11975774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).