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

C10H7F2N3OS — CID 54902446

IUPAC2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(F)c(Sc2nccc(=O)[nH]2)c(F)c1
InChIInChI=1S/C10H7F2N3OS/c11-6-3-5(13)4-7(12)9(6)17-10-14-2-1-8(16)15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyDNVBOVFCZYWODJ-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.78
Rot. Bonds2

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

2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 54902446) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID54902446
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(F)c(Sc2nccc(=O)[nH]2)c(F)c1
InChIInChI=1S/C10H7F2N3OS/c11-6-3-5(13)4-7(12)9(6)17-10-14-2-1-8(16)15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyDNVBOVFCZYWODJ-UHFFFAOYSA-N
XLogP1.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.78
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

N-(2,4-difluorophenyl)-2-[(6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 6462283
N-(2,5-difluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9143482
N-[4-(difluoromethylsulfanyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144069
N-(3,4-difluorophenyl)-2-[(4-hydroxypyrimidin-2-yl)thio]acetamide
CID 9144099
7-[(4-Amino-2-fluorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43303636
2-[4-amino-2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 54936001
2-(2-amino-3-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 60790080
2-(3-amino-5-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 60876534
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
3-(4-Amino-2,6-difluorophenyl)sulfanyl-1-methylpyrazin-2-one
CID 62939588

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one (CID 54902446) is 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one is Nc1cc(F)c(Sc2nccc(=O)[nH]2)c(F)c1.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is DNVBOVFCZYWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c11-6-3-5(13)4-7(12)9(6)17-10-14-2-1-8(16)15-10/h1-4H,13H2,(H,14,15,16).
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one?
2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 255.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 54902446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).