5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

C23H22N2O6 — CID 4890430

IUPAC5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(C=CC(=O)c2c(O)n(CCc3ccccc3)c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C23H22N2O6/c1-30-17-10-8-16(19(14-17)31-2)9-11-18(26)20-21(27)24-23(29)25(22(20)28)13-12-15-6-4-3-5-7-15/h3-11,14,28H,12-13H2,1-2H3,(H,24,27,29)
InChIKeyFNUWAUNCFDCSTG-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.40
Rot. Bonds8

About 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 4890430) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID4890430
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(C=CC(=O)c2c(O)n(CCc3ccccc3)c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C23H22N2O6/c1-30-17-10-8-16(19(14-17)31-2)9-11-18(26)20-21(27)24-23(29)25(22(20)28)13-12-15-6-4-3-5-7-15/h3-11,14,28H,12-13H2,1-2H3,(H,24,27,29)
InChIKeyFNUWAUNCFDCSTG-UHFFFAOYSA-N
XLogP2.40
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-[3-(1H-indol-3-yl)prop-2-enoyl]-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 4969728
5-[(5S)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 136804550
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
CID 56675195
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 102534632
3-(2,4-dimethoxyphenyl)-1-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 70138696
(E)-N-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26691379
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
1-(2,4-dimethoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826677
7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048739
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 3385049

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 4890430) is 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is COc1ccc(C=CC(=O)c2c(O)n(CCc3ccccc3)c(=O)[nH]c2=O)c(OC)c1.
What is the InChIKey of 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is FNUWAUNCFDCSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-30-17-10-8-16(19(14-17)31-2)9-11-18(26)20-21(27)24-23(29)25(22(20)28)13-12-15-6-4-3-5-7-15/h3-11,14,28H,12-13H2,1-2H3,(H,24,27,29).
What are the key properties of 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 422.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).