6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

C30H30N2O4 — CID 10939797

IUPAC6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESC=CCC(c1ccccc1)c1cc(=O)n(COCc2ccccc2)c(=O)n1COCc1ccccc1
InChIInChI=1S/C30H30N2O4/c1-2-12-27(26-17-10-5-11-18-26)28-19-29(33)32(23-36-21-25-15-8-4-9-16-25)30(34)31(28)22-35-20-24-13-6-3-7-14-24/h2-11,13-19,27H,1,12,20-23H2
InChIKeyOCDMHGLVWGTACN-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.07
Rot. Bonds12

About 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 10939797) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID10939797
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESC=CCC(c1ccccc1)c1cc(=O)n(COCc2ccccc2)c(=O)n1COCc1ccccc1
InChIInChI=1S/C30H30N2O4/c1-2-12-27(26-17-10-5-11-18-26)28-19-29(33)32(23-36-21-25-15-8-4-9-16-25)30(34)31(28)22-35-20-24-13-6-3-7-14-24/h2-11,13-19,27H,1,12,20-23H2
InChIKeyOCDMHGLVWGTACN-UHFFFAOYSA-N
XLogP5.07
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-phenyl-2-phenylmethoxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 11185890
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
CID 102940695
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
benzyl (2S)-2-aminopent-4-enoate;hydrochloride
CID 67440277
9-(phenylmethoxymethyl)carbazole
CID 2227531
benzyl (2R)-2-hydroxypent-4-enoate
CID 11356210
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
benzyl N-[(1S)-1-(3-hydroxyphenyl)but-3-enyl]carbamate
CID 175272837
6-bromo-4-(phenylmethoxymethyl)-2-(1-phenylpropan-2-yl)-1,2,4-triazine-3,5-dione
CID 90036621

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 10939797) is 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is C=CCC(c1ccccc1)c1cc(=O)n(COCc2ccccc2)c(=O)n1COCc1ccccc1.
What is the InChIKey of 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is OCDMHGLVWGTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-2-12-27(26-17-10-5-11-18-26)28-19-29(33)32(23-36-21-25-15-8-4-9-16-25)30(34)31(28)22-35-20-24-13-6-3-7-14-24/h2-11,13-19,27H,1,12,20-23H2.
What are the key properties of 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 482.58 g/mol, XLogP of 5.07, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylbut-3-enyl)-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10939797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).