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

C13H14N2O3 — CID 15217036

IUPAC6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-10-7-12(16)14-13(17)15(10)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,16,17)
InChIKeyOEEFUFCMNGGFKZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.02
Rot. Bonds4

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

6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 15217036) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID15217036
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1COCc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-10-7-12(16)14-13(17)15(10)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,16,17)
InChIKeyOEEFUFCMNGGFKZ-UHFFFAOYSA-N
XLogP1.02
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 15217036) is 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1COCc1ccccc1.
What is the InChIKey of 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is OEEFUFCMNGGFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10-7-12(16)14-13(17)15(10)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,16,17).
What are the key properties of 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15217036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).