4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine

C11H10FN3OS — CID 114053348

IUPAC4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Sc2cccc(F)c2)nc(N)n1
InChIInChI=1S/C11H10FN3OS/c1-16-9-6-10(15-11(13)14-9)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyTWTYXXWOSDIQSD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.36
Rot. Bonds3

About 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine

4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine (PubChem CID 114053348) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine
PubChem CID114053348
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Sc2cccc(F)c2)nc(N)n1
InChIInChI=1S/C11H10FN3OS/c1-16-9-6-10(15-11(13)14-9)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H2,13,14,15)
InChIKeyTWTYXXWOSDIQSD-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine (CID 114053348) is 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine is COc1cc(Sc2cccc(F)c2)nc(N)n1.
What is the InChIKey of 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
The InChIKey is TWTYXXWOSDIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-16-9-6-10(15-11(13)14-9)17-8-4-2-3-7(12)5-8/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 114053348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).