6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine

C10H17N3S — CID 80962306

IUPAC6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCSc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C10H17N3S/c1-5-14-9-6-8(11-4)12-10(13-9)7(2)3/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyNMMOLLCBLRDFOD-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.75
Rot. Bonds4

About 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80962306) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80962306
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCSc1cc(NC)nc(C(C)C)n1
InChIInChI=1S/C10H17N3S/c1-5-14-9-6-8(11-4)12-10(13-9)7(2)3/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyNMMOLLCBLRDFOD-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethylsulfanyl-N-methyl-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 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80962306) is 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine is CCSc1cc(NC)nc(C(C)C)n1.
What is the InChIKey of 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NMMOLLCBLRDFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-5-14-9-6-8(11-4)12-10(13-9)7(2)3/h6-7H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80962306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).