3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione

C12H9F2IN2O2 — CID 79785335

IUPAC3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C12H9F2IN2O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-2-3-8(13)4-9(7)14/h2-4,6H,5H2,1H3
InChIKeyUXDWLCJDBYEPEA-UHFFFAOYSA-N
MW378.12 g/mol
LogP1.48
Rot. Bonds2

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

3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione (PubChem CID 79785335) has the molecular formula C12H9F2IN2O2 and a molecular weight of 378.12 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
PubChem CID79785335
Molecular FormulaC12H9F2IN2O2
Molecular Weight378.12 g/mol
Exact Mass377.97
IUPAC Name3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C12H9F2IN2O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-2-3-8(13)4-9(7)14/h2-4,6H,5H2,1H3
InChIKeyUXDWLCJDBYEPEA-UHFFFAOYSA-N
XLogP1.48
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.12
LogP ≤ 51.48
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

6-Chloro-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2143092
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1,3-Dibenzylpyrimidine-2,4-dione
CID 698951
1-Benzyluracil
CID 237962
5-acetyl-1-benzyl-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
CID 3814068
Stk169393
CID 319814
5-methyl-1-(2-methylbenzyl)-2,4(1H,3H)-pyrimidinedione
CID 736451
Ammonium 1-(4-fluorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
CID 24761182
1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione
CID 42606277
1-[(E)-cinnamyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
CID 71525097
1-benzyl-3-(tert-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 678777
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764874

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione (CID 79785335) is 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione is Cn1cc(I)c(=O)n(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione?
The InChIKey is UXDWLCJDBYEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2IN2O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-2-3-8(13)4-9(7)14/h2-4,6H,5H2,1H3.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione?
3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione has a molecular weight of 378.12 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 79785335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).