N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine

C13H18N4OS — CID 106928319

IUPACN-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Sc2ncco2)c1C
InChIInChI=1S/C13H18N4OS/c1-5-14-11-9(4)12(17-10(16-11)8(2)3)19-13-15-6-7-18-13/h6-8H,5H2,1-4H3,(H,14,16,17)
InChIKeyZHEGPXQEANYXGG-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.48
Rot. Bonds5

About N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine

N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106928319) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID106928319
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Sc2ncco2)c1C
InChIInChI=1S/C13H18N4OS/c1-5-14-11-9(4)12(17-10(16-11)8(2)3)19-13-15-6-7-18-13/h6-8H,5H2,1-4H3,(H,14,16,17)
InChIKeyZHEGPXQEANYXGG-UHFFFAOYSA-N
XLogP3.48
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (CID 106928319) is N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(Sc2ncco2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZHEGPXQEANYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-14-11-9(4)12(17-10(16-11)8(2)3)19-13-15-6-7-18-13/h6-8H,5H2,1-4H3,(H,14,16,17).
What are the key properties of N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106928319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).