6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C19H17IN2O3 — CID 70688235

IUPAC6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1I
InChIInChI=1S/C19H17IN2O3/c20-17-16(11-14-7-3-1-4-8-14)22(19(24)21-18(17)23)13-25-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,23,24)
InChIKeyDZMYZUPNSMGTEY-UHFFFAOYSA-N
MW448.26 g/mol
LogP2.91
Rot. Bonds6

About 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 70688235) has the molecular formula C19H17IN2O3 and a molecular weight of 448.26 g/mol. Its IUPAC name is 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID70688235
Molecular FormulaC19H17IN2O3
Molecular Weight448.26 g/mol
Exact Mass448.03
IUPAC Name6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1I
InChIInChI=1S/C19H17IN2O3/c20-17-16(11-14-7-3-1-4-8-14)22(19(24)21-18(17)23)13-25-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,23,24)
InChIKeyDZMYZUPNSMGTEY-UHFFFAOYSA-N
XLogP2.91
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.26
LogP ≤ 52.91
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
1-[(Benzyloxy)methyl]-6-(Cyclohexylmethyl)-3-Hydroxy-5-(Propan-2-Yl)pyrimidine-2,4(1h,3h)-Dione
CID 129010126
1,3-Bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
CID 90681091
6-Benzyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-5-isopropyl-pyrimidine-2,4-dione
CID 52938233
6-Benzyl-1-(benzyloxymethyl)-3-hydroxy-5-isopropyl-pyrimidine-2,4-dione
CID 52938234
6-[(3,5-Difluorophenyl)methyl]-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 70686104
6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-1-[(4-iodophenyl)methoxymethyl]pyrimidine-2,4-dione
CID 44446507
1-(4-(Benzhydryloxy)butyl)uracil
CID 54753630
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

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 70688235) is 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1I.
What is the InChIKey of 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is DZMYZUPNSMGTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O3/c20-17-16(11-14-7-3-1-4-8-14)22(19(24)21-18(17)23)13-25-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,23,24).
What are the key properties of 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 448.26 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-iodo-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 70688235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).