4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one

C10H7FIN3O — CID 123287672

IUPAC4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one
SMILESNc1nc(=O)[nH]c(-c2ccc(F)cc2)c1I
InChIInChI=1S/C10H7FIN3O/c11-6-3-1-5(2-4-6)8-7(12)9(13)15-10(16)14-8/h1-4H,(H3,13,14,15,16)
InChIKeyZRZWTPSWHMDYIJ-UHFFFAOYSA-N
MW331.09 g/mol
LogP1.76
Rot. Bonds1

About 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one

4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one (PubChem CID 123287672) has the molecular formula C10H7FIN3O and a molecular weight of 331.09 g/mol. Its IUPAC name is 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one
PubChem CID123287672
Molecular FormulaC10H7FIN3O
Molecular Weight331.09 g/mol
Exact Mass330.96
IUPAC Name4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one
SMILESNc1nc(=O)[nH]c(-c2ccc(F)cc2)c1I
InChIInChI=1S/C10H7FIN3O/c11-6-3-1-5(2-4-6)8-7(12)9(13)15-10(16)14-8/h1-4H,(H3,13,14,15,16)
InChIKeyZRZWTPSWHMDYIJ-UHFFFAOYSA-N
XLogP1.76
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.09
LogP ≤ 51.76
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

6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135656204
5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
CID 28805699
5-(4-fluorophenyl)-2H-1,2,4-triazin-3-one
CID 14923087
4-(4-fluorophenyl)-6-propyl-1H-pyrimidin-2-one
CID 143249998
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
6-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 123970388
5-(4-fluorophenyl)-4-methoxy-1H-pyrazol-3-amine
CID 134439842
2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317416
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one (CID 123287672) is 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one is Nc1nc(=O)[nH]c(-c2ccc(F)cc2)c1I.
What is the InChIKey of 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one?
The InChIKey is ZRZWTPSWHMDYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FIN3O/c11-6-3-1-5(2-4-6)8-7(12)9(13)15-10(16)14-8/h1-4H,(H3,13,14,15,16).
What are the key properties of 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one?
4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one has a molecular weight of 331.09 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one is sourced from PubChem (CID 123287672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).