N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C10H16N4S — CID 58154336

IUPACN-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2)nc(SC)n1
InChIInChI=1S/C10H16N4S/c1-11-8-7-9(13-10(12-8)15-2)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyJYVATUAPDCDUJM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 58154336) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID58154336
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2)nc(SC)n1
InChIInChI=1S/C10H16N4S/c1-11-8-7-9(13-10(12-8)15-2)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyJYVATUAPDCDUJM-UHFFFAOYSA-N
XLogP1.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-methylsulfanyl-6-pyrrolidin-1-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-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 58154336) is N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine is CNc1cc(N2CCCC2)nc(SC)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JYVATUAPDCDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-11-8-7-9(13-10(12-8)15-2)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 224.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 58154336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).