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

C13H13F2N3S — CID 80885129

IUPAC6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3S/c1-3-9-12(16-2)17-7-18-13(9)19-11-6-8(14)4-5-10(11)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyCSYDQEKFBLXBKY-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.51
Rot. Bonds4

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

6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80885129) has the molecular formula C13H13F2N3S and a molecular weight of 281.33 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80885129
Molecular FormulaC13H13F2N3S
Molecular Weight281.33 g/mol
Exact Mass281.08
IUPAC Name6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Sc1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3S/c1-3-9-12(16-2)17-7-18-13(9)19-11-6-8(14)4-5-10(11)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyCSYDQEKFBLXBKY-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80884884
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
CID 80887870
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
6-(2,5-difluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884389
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
6-[2-(dimethylamino)ethylsulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80894668
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine (CID 80885129) is 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1Sc1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is CSYDQEKFBLXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3S/c1-3-9-12(16-2)17-7-18-13(9)19-11-6-8(14)4-5-10(11)15/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine?
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 3.51, 4 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-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80885129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).