[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine

C12H21N3S — CID 65141039

IUPAC[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
SMILESCCC(C)SCc1nc(C)c(CN)c(C)n1
InChIInChI=1S/C12H21N3S/c1-5-8(2)16-7-12-14-9(3)11(6-13)10(4)15-12/h8H,5-7,13H2,1-4H3
InChIKeyPIOCTRJAVVLKKO-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.58
Rot. Bonds5

About [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine

[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine (PubChem CID 65141039) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
PubChem CID65141039
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
SMILESCCC(C)SCc1nc(C)c(CN)c(C)n1
InChIInChI=1S/C12H21N3S/c1-5-8(2)16-7-12-14-9(3)11(6-13)10(4)15-12/h8H,5-7,13H2,1-4H3
InChIKeyPIOCTRJAVVLKKO-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine 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 [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine (CID 65141039) is [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine is CCC(C)SCc1nc(C)c(CN)c(C)n1.
What is the InChIKey of [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
The InChIKey is PIOCTRJAVVLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-5-8(2)16-7-12-14-9(3)11(6-13)10(4)15-12/h8H,5-7,13H2,1-4H3.
What are the key properties of [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine?
[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 65141039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).