1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione

C14H15IN2O2 — CID 79787256

IUPAC1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCCn1cc(I)c(=O)n(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C14H15IN2O2/c1-3-16-9-12(15)13(18)17(14(16)19)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyVSLPGYCLDIOLJF-UHFFFAOYSA-N
MW370.19 g/mol
LogP1.99
Rot. Bonds3

About 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione

1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 79787256) has the molecular formula C14H15IN2O2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID79787256
Molecular FormulaC14H15IN2O2
Molecular Weight370.19 g/mol
Exact Mass370.02
IUPAC Name1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCCn1cc(I)c(=O)n(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C14H15IN2O2/c1-3-16-9-12(15)13(18)17(14(16)19)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyVSLPGYCLDIOLJF-UHFFFAOYSA-N
XLogP1.99
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)methyl]-1-ethyl-5-iodopyrimidine-2,4-dione
CID 79787597
3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 79787258
1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79788186
5-iodo-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 79777705
3-benzyl-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785336
1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione
CID 79787598
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
1-benzyl-7-ethyl-3-(3-methylphenyl)purine-2,6-dione
CID 42862781
3-[(5-fluoro-2-methylphenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 105376220
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
4,6,7-trimethyl-2-[(3-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 16614248
3-[(3,4-dichlorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785714

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione (CID 79787256) is 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione is CCn1cc(I)c(=O)n(Cc2cccc(C)c2)c1=O.
What is the InChIKey of 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is VSLPGYCLDIOLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2/c1-3-16-9-12(15)13(18)17(14(16)19)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione?
1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 370.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 79787256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).