2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine

C10H8FN5O2S — CID 62688960

IUPAC2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2cccc(F)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H8FN5O2S/c11-5-2-1-3-6(9(5)16(17)18)19-10-14-7(12)4-8(13)15-10/h1-4H,(H4,12,13,14,15)
InChIKeyNYWOJYSOTDVITD-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.84
Rot. Bonds3

About 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine

2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine (PubChem CID 62688960) has the molecular formula C10H8FN5O2S and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine
PubChem CID62688960
Molecular FormulaC10H8FN5O2S
Molecular Weight281.27 g/mol
Exact Mass281.04
IUPAC Name2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(Sc2cccc(F)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H8FN5O2S/c11-5-2-1-3-6(9(5)16(17)18)19-10-14-7(12)4-8(13)15-10/h1-4H,(H4,12,13,14,15)
InChIKeyNYWOJYSOTDVITD-UHFFFAOYSA-N
XLogP1.84
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)sulfanyl-2-nitroaniline
CID 80884267
1-fluoro-2-nitro-3-(2-nitrophenyl)sulfanylbenzene
CID 62690853
1-fluoro-3-(3-methylphenyl)sulfanyl-2-nitrobenzene
CID 62688959
1-(3-chlorophenyl)sulfanyl-3-fluoro-2-nitrobenzene
CID 62689653
1-fluoro-3-(4-methylphenyl)sulfanyl-2-nitrobenzene
CID 62689821
1-(3,4-dimethylphenyl)sulfanyl-3-fluoro-2-nitrobenzene
CID 63402216
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-nitrophenyl]hydrazine
CID 80923605
6-bromo-2-(2-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798140
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-nitrobenzoic acid
CID 115932586
2-(3-fluoro-2-nitrophenyl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 55100944
3-(3-fluoro-2-nitrophenyl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 55128756
3-(3-fluoro-2-nitrophenyl)sulfanylpropan-1-ol
CID 66113168

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine (CID 62688960) is 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine is Nc1cc(N)nc(Sc2cccc(F)c2[N+](=O)[O-])n1.
What is the InChIKey of 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is NYWOJYSOTDVITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O2S/c11-5-2-1-3-6(9(5)16(17)18)19-10-14-7(12)4-8(13)15-10/h1-4H,(H4,12,13,14,15).
What are the key properties of 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine?
2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 281.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-nitrophenyl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 62688960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).