(4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone

C13H10FIN2O3 — CID 24766454

IUPAC(4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone
SMILESCOc1nc(I)c(C(=O)c2ccc(F)cc2)c(OC)n1
InChIInChI=1S/C13H10FIN2O3/c1-19-12-9(11(15)16-13(17-12)20-2)10(18)7-3-5-8(14)6-4-7/h3-6H,1-2H3
InChIKeyVJQXNRSKCCGOMU-UHFFFAOYSA-N
MW388.14 g/mol
LogP2.47
Rot. Bonds4

About (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone

(4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone (PubChem CID 24766454) has the molecular formula C13H10FIN2O3 and a molecular weight of 388.14 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone
PubChem CID24766454
Molecular FormulaC13H10FIN2O3
Molecular Weight388.14 g/mol
Exact Mass387.97
IUPAC Name(4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone
SMILESCOc1nc(I)c(C(=O)c2ccc(F)cc2)c(OC)n1
InChIInChI=1S/C13H10FIN2O3/c1-19-12-9(11(15)16-13(17-12)20-2)10(18)7-3-5-8(14)6-4-7/h3-6H,1-2H3
InChIKeyVJQXNRSKCCGOMU-UHFFFAOYSA-N
XLogP2.47
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone (CID 24766454) is (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone is COc1nc(I)c(C(=O)c2ccc(F)cc2)c(OC)n1.
What is the InChIKey of (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone?
The InChIKey is VJQXNRSKCCGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O3/c1-19-12-9(11(15)16-13(17-12)20-2)10(18)7-3-5-8(14)6-4-7/h3-6H,1-2H3.
What are the key properties of (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone?
(4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone has a molecular weight of 388.14 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-iodo-2,6-dimethoxypyrimidin-5-yl)methanone is sourced from PubChem (CID 24766454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).