6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione

C20H26N2O3 — CID 501419

IUPAC6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione
SMILESC=C(C)COCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N2O3/c1-6-17-18(10-16-8-14(4)7-15(5)9-16)22(12-25-11-13(2)3)20(24)21-19(17)23/h7-9H,2,6,10-12H2,1,3-5H3,(H,21,23,24)
InChIKeyMXQHOSMADZFCSW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.86
Rot. Bonds7

About 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione

6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione (PubChem CID 501419) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione
PubChem CID501419
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione
SMILESC=C(C)COCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C20H26N2O3/c1-6-17-18(10-16-8-14(4)7-15(5)9-16)22(12-25-11-13(2)3)20(24)21-19(17)23/h7-9H,2,6,10-12H2,1,3-5H3,(H,21,23,24)
InChIKeyMXQHOSMADZFCSW-UHFFFAOYSA-N
XLogP2.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione (CID 501419) is 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione is C=C(C)COCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
The InChIKey is MXQHOSMADZFCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-17-18(10-16-8-14(4)7-15(5)9-16)22(12-25-11-13(2)3)20(24)21-19(17)23/h7-9H,2,6,10-12H2,1,3-5H3,(H,21,23,24).
What are the key properties of 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 501419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).