3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione

C14H14FIN2O2 — CID 79787258

IUPAC3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(I)c(=O)n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C14H14FIN2O2/c1-2-6-17-9-12(16)13(19)18(14(17)20)8-10-4-3-5-11(15)7-10/h3-5,7,9H,2,6,8H2,1H3
InChIKeyKTPSJDDNMRPCNR-UHFFFAOYSA-N
MW388.18 g/mol
LogP2.21
Rot. Bonds4

About 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione

3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione (PubChem CID 79787258) has the molecular formula C14H14FIN2O2 and a molecular weight of 388.18 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
PubChem CID79787258
Molecular FormulaC14H14FIN2O2
Molecular Weight388.18 g/mol
Exact Mass388.01
IUPAC Name3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(I)c(=O)n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C14H14FIN2O2/c1-2-6-17-9-12(16)13(19)18(14(17)20)8-10-4-3-5-11(15)7-10/h3-5,7,9H,2,6,8H2,1H3
InChIKeyKTPSJDDNMRPCNR-UHFFFAOYSA-N
XLogP2.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-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

Related Compounds

3-[(5-fluoro-2-methylphenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 105376220
3-[(3-fluorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 63812060
1-ethyl-5-iodo-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 79787256
3-[(3-fluorophenyl)methyl]-6-iodo-1-methylquinazoline-2,4-dione
CID 22281876
5-iodo-3-nonyl-1-propylpyrimidine-2,4-dione
CID 79781251
3-(3,3-dimethylbutyl)-5-iodo-1-propylpyrimidine-2,4-dione
CID 79787175
3-benzyl-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785336
1-ethyl-3-[(2-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79788186
3-[(4-bromophenyl)methyl]-1-ethyl-5-iodopyrimidine-2,4-dione
CID 79787597
3-[(3-chloro-4-fluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
CID 102974936
3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785335
5-iodo-3-[2-(3-methoxypropoxy)ethyl]-1-propylpyrimidine-2,4-dione
CID 103185199

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione (CID 79787258) is 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione is CCCn1cc(I)c(=O)n(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione?
The InChIKey is KTPSJDDNMRPCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O2/c1-2-6-17-9-12(16)13(19)18(14(17)20)8-10-4-3-5-11(15)7-10/h3-5,7,9H,2,6,8H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione?
3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione has a molecular weight of 388.18 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 79787258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).