6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

C11H9F2N3S — CID 80884389

IUPAC6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Sc1cc(F)ccc1F
InChIInChI=1S/C11H9F2N3S/c1-6-10(14)15-5-16-11(6)17-9-4-7(12)2-3-8(9)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyVMASEXISKRNXHR-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.80
Rot. Bonds2

About 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (PubChem CID 80884389) has the molecular formula C11H9F2N3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
PubChem CID80884389
Molecular FormulaC11H9F2N3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Sc1cc(F)ccc1F
InChIInChI=1S/C11H9F2N3S/c1-6-10(14)15-5-16-11(6)17-9-4-7(12)2-3-8(9)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyVMASEXISKRNXHR-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884520
6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80884884
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
CID 103591356
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine
CID 116798209
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
6-(3-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80894171
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
4-(2,5-difluorophenyl)sulfanyl-2,1,3-benzoxadiazol-7-amine
CID 43518925
6-fluoro-5-methylpyrimidin-4-amine
CID 44558106

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (CID 80884389) is 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1Sc1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The InChIKey is VMASEXISKRNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3S/c1-6-10(14)15-5-16-11(6)17-9-4-7(12)2-3-8(9)13/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine has a molecular weight of 253.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80884389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).