5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione

C16H18N2O3 — CID 6477696

IUPAC5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione
SMILESCc1cn(C/C=C\COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-13-11-18(16(20)17-15(13)19)9-5-6-10-21-12-14-7-3-2-4-8-14/h2-8,11H,9-10,12H2,1H3,(H,17,19,20)/b6-5-
InChIKeyUWVHGIHVWKAXQU-WAYWQWQTSA-N
MW286.33 g/mol
LogP1.62
Rot. Bonds6

About 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione

5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione (PubChem CID 6477696) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione
PubChem CID6477696
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione
SMILESCc1cn(C/C=C\COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-13-11-18(16(20)17-15(13)19)9-5-6-10-21-12-14-7-3-2-4-8-14/h2-8,11H,9-10,12H2,1H3,(H,17,19,20)/b6-5-
InChIKeyUWVHGIHVWKAXQU-WAYWQWQTSA-N
XLogP1.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione (CID 6477696) is 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione is Cc1cn(C/C=C\COCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione?
The InChIKey is UWVHGIHVWKAXQU-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-13-11-18(16(20)17-15(13)19)9-5-6-10-21-12-14-7-3-2-4-8-14/h2-8,11H,9-10,12H2,1H3,(H,17,19,20)/b6-5-.
What are the key properties of 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione?
5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(Z)-4-phenylmethoxybut-2-enyl]pyrimidine-2,4-dione is sourced from PubChem (CID 6477696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).