4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine

C9H10FN5S — CID 80889335

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine
SMILESCc1cc(Sc2nc(N)ncc2F)n(C)n1
InChIInChI=1S/C9H10FN5S/c1-5-3-7(15(2)14-5)16-8-6(10)4-12-9(11)13-8/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyLQXFMFCRXVKWJE-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.39
Rot. Bonds2

About 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine (PubChem CID 80889335) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine
PubChem CID80889335
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine
SMILESCc1cc(Sc2nc(N)ncc2F)n(C)n1
InChIInChI=1S/C9H10FN5S/c1-5-3-7(15(2)14-5)16-8-6(10)4-12-9(11)13-8/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyLQXFMFCRXVKWJE-UHFFFAOYSA-N
XLogP1.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine (CID 80889335) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine is Cc1cc(Sc2nc(N)ncc2F)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine?
The InChIKey is LQXFMFCRXVKWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c1-5-3-7(15(2)14-5)16-8-6(10)4-12-9(11)13-8/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80889335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).