6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine

C10H16N4S — CID 80798063

IUPAC6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCC(C)C2)n1
InChIInChI=1S/C10H16N4S/c1-7-3-4-14(6-7)9-5-8(11)12-10(13-9)15-2/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyXGVFUVHURVJTCT-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.63
Rot. Bonds2

About 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine

6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80798063) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80798063
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(N2CCC(C)C2)n1
InChIInChI=1S/C10H16N4S/c1-7-3-4-14(6-7)9-5-8(11)12-10(13-9)15-2/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13)
InChIKeyXGVFUVHURVJTCT-UHFFFAOYSA-N
XLogP1.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-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-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine (CID 80798063) is 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(N2CCC(C)C2)n1.
What is the InChIKey of 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is XGVFUVHURVJTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-3-4-14(6-7)9-5-8(11)12-10(13-9)15-2/h5,7H,3-4,6H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine?
6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 224.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80798063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).