6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine

C13H23N3O2S — CID 79563522

IUPAC6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)12-15-10(3)7-11(16-12)14-8-13(4,5)19(6,17)18/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyYTSXSELZSCONJN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.14
Rot. Bonds5

About 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 79563522) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID79563522
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)12-15-10(3)7-11(16-12)14-8-13(4,5)19(6,17)18/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyYTSXSELZSCONJN-UHFFFAOYSA-N
XLogP2.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-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-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine (CID 79563522) is 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCC(C)(C)S(C)(=O)=O)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YTSXSELZSCONJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)12-15-10(3)7-11(16-12)14-8-13(4,5)19(6,17)18/h7,9H,8H2,1-6H3,(H,14,15,16).
What are the key properties of 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 285.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79563522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).