5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine

C7H6FN5S — CID 107784935

IUPAC5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C7H6FN5S/c8-4-3-12-6(9)13-5(4)14-7-10-1-2-11-7/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyRSSNHWFQSLKHIG-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.07
Rot. Bonds2

About 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine

5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 107784935) has the molecular formula C7H6FN5S and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID107784935
Molecular FormulaC7H6FN5S
Molecular Weight211.23 g/mol
Exact Mass211.03
IUPAC Name5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESNc1ncc(F)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C7H6FN5S/c8-4-3-12-6(9)13-5(4)14-7-10-1-2-11-7/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyRSSNHWFQSLKHIG-UHFFFAOYSA-N
XLogP1.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 80887976
CID 80887976
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CID 80888383
CID 80889363
CID 80889363
CID 80889784
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CID 80922510
CID 80922510
CID 107780733
CID 107780733
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CID 107780795

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine (CID 107784935) is 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine is Nc1ncc(F)c(Sc2ncc[nH]2)n1.
What is the InChIKey of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is RSSNHWFQSLKHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5S/c8-4-3-12-6(9)13-5(4)14-7-10-1-2-11-7/h1-3H,(H,10,11)(H2,9,12,13).
What are the key properties of 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 211.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 107784935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).