2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine

C14H17N3OS — CID 80990825

IUPAC2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccccc2SC)n1
InChIInChI=1S/C14H17N3OS/c1-4-12-16-13(15)9(2)14(17-12)18-10-7-5-6-8-11(10)19-3/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyLQIRCXVSPUNEII-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.44
Rot. Bonds4

About 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine

2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine (PubChem CID 80990825) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
PubChem CID80990825
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccccc2SC)n1
InChIInChI=1S/C14H17N3OS/c1-4-12-16-13(15)9(2)14(17-12)18-10-7-5-6-8-11(10)19-3/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyLQIRCXVSPUNEII-UHFFFAOYSA-N
XLogP3.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine (CID 80990825) is 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2ccccc2SC)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
The InChIKey is LQIRCXVSPUNEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-12-16-13(15)9(2)14(17-12)18-10-7-5-6-8-11(10)19-3/h5-8H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80990825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).