4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one

C10H6ClFIN3O — CID 136971036

IUPAC4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2ccc(Cl)cc2F)c1I
InChIInChI=1S/C10H6ClFIN3O/c11-5-1-2-7(6(12)3-5)16-9-8(13)10(17)15-4-14-9/h1-4H,(H2,14,15,16,17)
InChIKeyODWDDSRYROPTCS-UHFFFAOYSA-N
MW365.53 g/mol
LogP2.91
Rot. Bonds2

About 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one

4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136971036) has the molecular formula C10H6ClFIN3O and a molecular weight of 365.53 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136971036
Molecular FormulaC10H6ClFIN3O
Molecular Weight365.53 g/mol
Exact Mass364.92
IUPAC Name4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2ccc(Cl)cc2F)c1I
InChIInChI=1S/C10H6ClFIN3O/c11-5-1-2-7(6(12)3-5)16-9-8(13)10(17)15-4-14-9/h1-4H,(H2,14,15,16,17)
InChIKeyODWDDSRYROPTCS-UHFFFAOYSA-N
XLogP2.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(4-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136971034
5-chloro-4-(5-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970766
4-(4-fluoro-3-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971250
5-iodo-4-(3,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971247
4-(2-chloro-5-methoxyanilino)-5-iodo-1H-pyrimidin-6-one
CID 136990136
5-chloro-4-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971242
4-(3-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970589
4-(5-bromo-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970874
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408
4-(3-chloro-4-methoxyanilino)-5-iodo-1H-pyrimidin-6-one
CID 136990076
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
4-[3-(chloromethyl)anilino]-5-iodo-1H-pyrimidin-6-one
CID 136971867

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one (CID 136971036) is 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(Nc2ccc(Cl)cc2F)c1I.
What is the InChIKey of 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ODWDDSRYROPTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFIN3O/c11-5-1-2-7(6(12)3-5)16-9-8(13)10(17)15-4-14-9/h1-4H,(H2,14,15,16,17).
What are the key properties of 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one?
4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 365.53 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136971036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).