6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine

C16H16N4OS — CID 164934851

IUPAC6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCc2ncc(-c3ccccc3)o2)n1
InChIInChI=1S/C16H16N4OS/c1-11-9-14(17)20-16(19-11)22-8-7-15-18-10-13(21-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,17,19,20)
InChIKeyZOALLMGJVIEKHK-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.36
Rot. Bonds5

About 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine

6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 164934851) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine
PubChem CID164934851
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCc2ncc(-c3ccccc3)o2)n1
InChIInChI=1S/C16H16N4OS/c1-11-9-14(17)20-16(19-11)22-8-7-15-18-10-13(21-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,17,19,20)
InChIKeyZOALLMGJVIEKHK-UHFFFAOYSA-N
XLogP3.36
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine (CID 164934851) is 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCCc2ncc(-c3ccccc3)o2)n1.
What is the InChIKey of 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is ZOALLMGJVIEKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-9-14(17)20-16(19-11)22-8-7-15-18-10-13(21-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,17,19,20).
What are the key properties of 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 164934851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).