5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione

C18H21IN2O5 — CID 58374916

IUPAC5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(I)ccc1Cc1c(C(=O)COCCO)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H21IN2O5/c1-11-8-13(19)5-4-12(11)9-14-16(15(23)10-26-7-6-22)17(24)21(3)18(25)20(14)2/h4-5,8,22H,6-7,9-10H2,1-3H3
InChIKeyVEPRHBVDPSJBQU-UHFFFAOYSA-N
MW472.28 g/mol
LogP0.78
Rot. Bonds7

About 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 58374916) has the molecular formula C18H21IN2O5 and a molecular weight of 472.28 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID58374916
Molecular FormulaC18H21IN2O5
Molecular Weight472.28 g/mol
Exact Mass472.05
IUPAC Name5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(I)ccc1Cc1c(C(=O)COCCO)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C18H21IN2O5/c1-11-8-13(19)5-4-12(11)9-14-16(15(23)10-26-7-6-22)17(24)21(3)18(25)20(14)2/h4-5,8,22H,6-7,9-10H2,1-3H3
InChIKeyVEPRHBVDPSJBQU-UHFFFAOYSA-N
XLogP0.78
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 58374916) is 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cc(I)ccc1Cc1c(C(=O)COCCO)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VEPRHBVDPSJBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O5/c1-11-8-13(19)5-4-12(11)9-14-16(15(23)10-26-7-6-22)17(24)21(3)18(25)20(14)2/h4-5,8,22H,6-7,9-10H2,1-3H3.
What are the key properties of 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 472.28 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)acetyl]-6-[(4-iodo-2-methylphenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 58374916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).