2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one

C10H8FN3OS — CID 60876534

IUPAC2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(F)cc(Sc2nccc(=O)[nH]2)c1
InChIInChI=1S/C10H8FN3OS/c11-6-3-7(12)5-8(4-6)16-10-13-2-1-9(15)14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyYSSGTMRKAHXSJZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.64
Rot. Bonds2

About 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one

2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 60876534) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID60876534
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(F)cc(Sc2nccc(=O)[nH]2)c1
InChIInChI=1S/C10H8FN3OS/c11-6-3-7(12)5-8(4-6)16-10-13-2-1-9(15)14-10/h1-5H,12H2,(H,13,14,15)
InChIKeyYSSGTMRKAHXSJZ-UHFFFAOYSA-N
XLogP1.64
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phenol, 3-perchloryl-
CID 131844784
5-fluoro-2-(2-fluoro-3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 166669599
7-[(4-Amino-2-fluorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43303636
7-[(2-Amino-4-fluorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43304185
2-[(2-amino-5-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 43443966
2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 54902446
2-(2-amino-3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 60790080
2-(2-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 62378034
2-(6-amino-2,3-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 62531672
2-(3-fluoro-2-nitrophenyl)sulfanyl-1H-pyrimidin-6-one
CID 62688793
2-[(2-amino-6-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 63331549
7-[(3-Amino-5-fluorophenyl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 64283981

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 60876534) is 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1cc(F)cc(Sc2nccc(=O)[nH]2)c1.
What is the InChIKey of 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is YSSGTMRKAHXSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-6-3-7(12)5-8(4-6)16-10-13-2-1-9(15)14-10/h1-5H,12H2,(H,13,14,15).
What are the key properties of 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one?
2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 60876534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).