2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine

C10H7F2N3S — CID 116798209

IUPAC2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C10H7F2N3S/c11-6-1-2-7(12)8(5-6)16-10-14-4-3-9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeyJGWMOXKOSCBDIN-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.49
Rot. Bonds2

About 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine

2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine (PubChem CID 116798209) has the molecular formula C10H7F2N3S and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine
PubChem CID116798209
Molecular FormulaC10H7F2N3S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C10H7F2N3S/c11-6-1-2-7(12)8(5-6)16-10-14-4-3-9(13)15-10/h1-5H,(H2,13,14,15)
InChIKeyJGWMOXKOSCBDIN-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 116798311
6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine
CID 80884801
2-N-(2,5-difluorophenyl)pyrimidine-2,4-diamine
CID 116796233
2-(2,4-difluorophenoxy)pyrimidin-4-amine
CID 116797635
2-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 116798308
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859394
6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884389
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133426349
2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene
CID 22351785
6-(2,5-difluorophenyl)sulfanyl-2-methoxypyridin-3-amine
CID 43518948
[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62464533
2-amino-6-(2,5-difluorophenyl)sulfanyl-3-fluorobenzoic acid
CID 83206624

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine (CID 116798209) is 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine is Nc1ccnc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine?
The InChIKey is JGWMOXKOSCBDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3S/c11-6-1-2-7(12)8(5-6)16-10-14-4-3-9(13)15-10/h1-5H,(H2,13,14,15).
What are the key properties of 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine?
2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine has a molecular weight of 239.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 116798209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).