4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine

C11H8FN5S — CID 80882219

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H8FN5S/c12-6-5-14-10(13)17-9(6)18-11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)(H2,13,14,17)
InChIKeyLIDZJGMMLLQOJH-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.23
Rot. Bonds2

About 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine

4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine (PubChem CID 80882219) has the molecular formula C11H8FN5S and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
PubChem CID80882219
Molecular FormulaC11H8FN5S
Molecular Weight261.29 g/mol
Exact Mass261.05
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H8FN5S/c12-6-5-14-10(13)17-9(6)18-11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)(H2,13,14,17)
InChIKeyLIDZJGMMLLQOJH-UHFFFAOYSA-N
XLogP2.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
CID 80882654
4-(1H-benzimidazol-2-ylsulfanyl)-5-nitropyrimidin-2-amine
CID 4526105
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
CID 80647029
4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
CID 114991117
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
2-[(3-fluoro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
CID 55111390
[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657640
3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 62683553
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine (CID 80882219) is 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine?
The InChIKey is LIDZJGMMLLQOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5S/c12-6-5-14-10(13)17-9(6)18-11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine?
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80882219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).