6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione

C17H20N2O4 — CID 71590649

IUPAC6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione
SMILESC=C(C)COCn1c(Cc2ccccc2)c(CO)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-12(2)10-23-11-19-15(8-13-6-4-3-5-7-13)14(9-20)16(21)18-17(19)22/h3-7,20H,1,8-11H2,2H3,(H,18,21,22)
InChIKeyJHOBMSRQAJHUOA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.17
Rot. Bonds7

About 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione

6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione (PubChem CID 71590649) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione
PubChem CID71590649
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione
SMILESC=C(C)COCn1c(Cc2ccccc2)c(CO)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N2O4/c1-12(2)10-23-11-19-15(8-13-6-4-3-5-7-13)14(9-20)16(21)18-17(19)22/h3-7,20H,1,8-11H2,2H3,(H,18,21,22)
InChIKeyJHOBMSRQAJHUOA-UHFFFAOYSA-N
XLogP1.17
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Emivirine
CID 65013
1-(Allyloxymethyl)-6-(3,5-dimethylbenzyl)-5-ethyl-uracil
CID 501417
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione
CID 501418
1-(Allyloxymethyl)-6-[(3,5-dimethylphenyl)methyl]-5-isopropyl-pyrimidine-2,4-dione
CID 501423
6-[(3,5-Dimethylphenyl)methyl]-5-isopropyl-1-(3-methylbut-2-enoxymethyl)pyrimidine-2,4-dione
CID 501424
6-[(3,5-Dimethylphenyl)methyl]-1-(2-methylprop-2-enoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 11078804
1-(Allyloxymethyl)-6-benzyl-5-isopropyl-pyrimidine-2,4-dione
CID 501413
6-Benzyl-5-isopropyl-1-(3-methylbut-2-enyloxymethyl)uracil
CID 501414
6-Benzyl-5-isopropyl-1-(2-methylallyloxymethyl)-uracil
CID 501415
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-(2-methylallyloxymethyl)pyrimidine-2,4-dione
CID 501419
6-Benzyl-5-ethyl-1-[(2-hydroxyethoxy)methyl]uracil
CID 392553
2,4(1H,3H)-Pyrimidinedione, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-1-((2-hydroxyethoxy)methyl)-
CID 453150

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione (CID 71590649) is 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione is C=C(C)COCn1c(Cc2ccccc2)c(CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
The InChIKey is JHOBMSRQAJHUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(2)10-23-11-19-15(8-13-6-4-3-5-7-13)14(9-20)16(21)18-17(19)22/h3-7,20H,1,8-11H2,2H3,(H,18,21,22).
What are the key properties of 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione?
6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-(hydroxymethyl)-1-(2-methylprop-2-enoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 71590649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).