2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine

C15H13FN4OS — CID 51209531

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C15H13FN4OS/c1-9-6-13(17)20-15(19-9)22-8-14-18-7-12(21-14)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyOTNYIQNXUJLTJD-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.45
Rot. Bonds4

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 51209531) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID51209531
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C15H13FN4OS/c1-9-6-13(17)20-15(19-9)22-8-14-18-7-12(21-14)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyOTNYIQNXUJLTJD-UHFFFAOYSA-N
XLogP3.45
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine (CID 51209531) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCc2ncc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is OTNYIQNXUJLTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-9-6-13(17)20-15(19-9)22-8-14-18-7-12(21-14)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H2,17,19,20).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 51209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).