5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine

C16H19N5OS — CID 2968080

IUPAC5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine
SMILESCCc1c(C)nc(N)nc1N1N=C1SCCOc1ccccc1
InChIInChI=1S/C16H19N5OS/c1-3-13-11(2)18-15(17)19-14(13)21-16(20-21)23-10-9-22-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyZQYFRCAZXFIESR-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.83
Rot. Bonds6

About 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine

5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine (PubChem CID 2968080) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine
PubChem CID2968080
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine
SMILESCCc1c(C)nc(N)nc1N1N=C1SCCOc1ccccc1
InChIInChI=1S/C16H19N5OS/c1-3-13-11(2)18-15(17)19-14(13)21-16(20-21)23-10-9-22-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyZQYFRCAZXFIESR-UHFFFAOYSA-N
XLogP2.83
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-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 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine (CID 2968080) is 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine is CCc1c(C)nc(N)nc1N1N=C1SCCOc1ccccc1.
What is the InChIKey of 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine?
The InChIKey is ZQYFRCAZXFIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-3-13-11(2)18-15(17)19-14(13)21-16(20-21)23-10-9-22-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine?
5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine has a molecular weight of 329.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 2968080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).