6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C19H15F2IN2O3 — CID 70686104

IUPAC6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)c(Cc2cc(F)cc(F)c2)c1I
InChIInChI=1S/C19H15F2IN2O3/c20-14-6-13(7-15(21)9-14)8-16-17(22)18(25)23-19(26)24(16)11-27-10-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,23,25,26)
InChIKeyOXSVGZCCNVYPAP-UHFFFAOYSA-N
MW484.24 g/mol
LogP3.18
Rot. Bonds6

About 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 70686104) has the molecular formula C19H15F2IN2O3 and a molecular weight of 484.24 g/mol. Its IUPAC name is 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID70686104
Molecular FormulaC19H15F2IN2O3
Molecular Weight484.24 g/mol
Exact Mass484.01
IUPAC Name6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)c(Cc2cc(F)cc(F)c2)c1I
InChIInChI=1S/C19H15F2IN2O3/c20-14-6-13(7-15(21)9-14)8-16-17(22)18(25)23-19(26)24(16)11-27-10-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,23,25,26)
InChIKeyOXSVGZCCNVYPAP-UHFFFAOYSA-N
XLogP3.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Benzyl-1-benzyloxymethyl-5-isopropyl uracil
CID 446515
6-Benzyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-5-isopropyl-pyrimidine-2,4-dione
CID 52938233
6-Benzyl-1-benzyloxymethyl-5-iodouracil
CID 70688235
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-[(4-iodophenyl)methoxymethyl]pyrimidine-2,4-dione
CID 44446507
6-[(3,5-Dimethylphenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964354
5-Bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
5-(Dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964463
6-Benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 70690256
6-[(3,5-Dimethylphenyl)-fluoromethyl]-5-ethyl-1-[(4-iodophenyl)methoxymethyl]pyrimidine-2,4-dione
CID 90682908
6-(Cyclohexylmethyl)-5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-pyrimidine-2,4-dione
CID 129908678
1-(Benzyloxymethyl)-6-(cyclohexylmethyl)-5-isopropyl-pyrimidine-2,4-dione
CID 129908702
6-(Cyclohexylmethyl)-1-[(4-fluorophenyl)methoxymethyl]-5-isopropyl-pyrimidine-2,4-dione
CID 129908874

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 70686104) is 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCc2ccccc2)c(Cc2cc(F)cc(F)c2)c1I.
What is the InChIKey of 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is OXSVGZCCNVYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2IN2O3/c20-14-6-13(7-15(21)9-14)8-16-17(22)18(25)23-19(26)24(16)11-27-10-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,23,25,26).
What are the key properties of 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 484.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 70686104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).