4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one

C10H5F2IN2OS — CID 114791080

IUPAC4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2ccc(F)cc2F)c1I
InChIInChI=1S/C10H5F2IN2OS/c11-5-1-2-7(6(12)3-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeySOOQACYWDQSPCZ-UHFFFAOYSA-N
MW366.13 g/mol
LogP2.80
Rot. Bonds2

About 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one

4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one (PubChem CID 114791080) has the molecular formula C10H5F2IN2OS and a molecular weight of 366.13 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one
PubChem CID114791080
Molecular FormulaC10H5F2IN2OS
Molecular Weight366.13 g/mol
Exact Mass365.91
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Sc2ccc(F)cc2F)c1I
InChIInChI=1S/C10H5F2IN2OS/c11-5-1-2-7(6(12)3-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16)
InChIKeySOOQACYWDQSPCZ-UHFFFAOYSA-N
XLogP2.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxynaphthalen-1-yl)sulfanyl-5-iodo-1H-pyrimidin-6-one
CID 114581061
4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574415
4-(4-aminophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one
CID 114585527
4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine
CID 66320757
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136981731
4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one
CID 135433439
5-bromo-4-(3,4-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 114791075
[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514770
4-(3-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970589
5-chloro-4-(3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 114791314
4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one (CID 114791080) is 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(Sc2ccc(F)cc2F)c1I.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SOOQACYWDQSPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2IN2OS/c11-5-1-2-7(6(12)3-5)17-10-8(13)9(16)14-4-15-10/h1-4H,(H,14,15,16).
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one?
4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one has a molecular weight of 366.13 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114791080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).