6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

C16H18N2O4 — CID 14096472

IUPAC6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(-c2ccc(OC)c(OC)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H18N2O4/c1-5-8-18-12(10-15(19)17(2)16(18)20)11-6-7-13(21-3)14(9-11)22-4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyTVJMJYFDAZCCCI-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.42
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 14096472) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID14096472
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(-c2ccc(OC)c(OC)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H18N2O4/c1-5-8-18-12(10-15(19)17(2)16(18)20)11-6-7-13(21-3)14(9-11)22-4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyTVJMJYFDAZCCCI-UHFFFAOYSA-N
XLogP1.42
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (CID 14096472) is 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(-c2ccc(OC)c(OC)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is TVJMJYFDAZCCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-5-8-18-12(10-15(19)17(2)16(18)20)11-6-7-13(21-3)14(9-11)22-4/h5-7,9-10H,1,8H2,2-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 14096472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).