6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione

C18H20N2O7 — CID 139088331

IUPAC6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione
SMILESCOc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)cc(OC)c1OC
InChIInChI=1S/C18H20N2O7/c1-19-16(22)14(17(23)20(2)18(19)24)11(21)7-6-10-8-12(25-3)15(27-5)13(9-10)26-4/h6-9,22H,1-5H3/b7-6+
InChIKeySGWNMCDIIRVQBO-VOTSOKGWSA-N
MW376.37 g/mol
LogP0.71
Rot. Bonds6

About 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione (PubChem CID 139088331) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione
PubChem CID139088331
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione
SMILESCOc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)cc(OC)c1OC
InChIInChI=1S/C18H20N2O7/c1-19-16(22)14(17(23)20(2)18(19)24)11(21)7-6-10-8-12(25-3)15(27-5)13(9-10)26-4/h6-9,22H,1-5H3/b7-6+
InChIKeySGWNMCDIIRVQBO-VOTSOKGWSA-N
XLogP0.71
TPSA108.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5270541
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(Z)-1-(2-chloro-1-methylindol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 98207555
1-sulfonyl-4-(3,4,5-trimethoxyphenyl)but-3-en-2-one
CID 173037255
3-(3,4,5-trimethoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 2897593
3-methyl-6-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,3-benzoxazol-2-one
CID 54088296
(E)-1-(1-methylindol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 56657919
CID 46855338
CID 46855338
1,3-dimethyl-7-(111C)methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
CID 5461878
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 73438577
(1E,4E,6E)-5-hydroxy-1,7-bis(3,4,5-trimethoxyphenyl)hepta-1,4,6-trien-3-one
CID 137360965
3-(3-chloro-4,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 3980689

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione (CID 139088331) is 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione is COc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)cc(OC)c1OC.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione?
The InChIKey is SGWNMCDIIRVQBO-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-19-16(22)14(17(23)20(2)18(19)24)11(21)7-6-10-8-12(25-3)15(27-5)13(9-10)26-4/h6-9,22H,1-5H3/b7-6+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione has a molecular weight of 376.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 139088331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).