5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine

C13H11FN4S — CID 80890508

IUPAC5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H11FN4S/c1-15-13-16-7-9(14)12(18-13)19-11-6-8-4-2-3-5-10(8)17-11/h2-7,17H,1H3,(H,15,16,18)
InChIKeySJFCNDFXVWYCLY-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.29
Rot. Bonds3

About 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine

5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine (PubChem CID 80890508) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
PubChem CID80890508
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cc3ccccc3[nH]2)n1
InChIInChI=1S/C13H11FN4S/c1-15-13-16-7-9(14)12(18-13)19-11-6-8-4-2-3-5-10(8)17-11/h2-7,17H,1H3,(H,15,16,18)
InChIKeySJFCNDFXVWYCLY-UHFFFAOYSA-N
XLogP3.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891225
4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80893618
5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80890425
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80891170
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696
3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80891867
5-bromo-6-(1H-indol-2-ylsulfanyl)-4-methylpyridin-3-amine
CID 104507692
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
CID 114049989
4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80886788

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine (CID 80890508) is 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Sc2cc3ccccc3[nH]2)n1.
What is the InChIKey of 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
The InChIKey is SJFCNDFXVWYCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-15-13-16-7-9(14)12(18-13)19-11-6-8-4-2-3-5-10(8)17-11/h2-7,17H,1H3,(H,15,16,18).
What are the key properties of 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine?
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80890508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).