2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide

C15H26N4O2S — CID 71703859

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC(C)(C)CO
InChIInChI=1S/C15H26N4O2S/c1-10-8-11(2)17-14(16-10)18-12(6-7-22-5)13(21)19-15(3,4)9-20/h8,12,20H,6-7,9H2,1-5H3,(H,19,21)(H,16,17,18)
InChIKeyDXSCNPUNQJCABW-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.51
Rot. Bonds8

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 71703859) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide
PubChem CID71703859
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCCC(Nc1nc(C)cc(C)n1)C(=O)NC(C)(C)CO
InChIInChI=1S/C15H26N4O2S/c1-10-8-11(2)17-14(16-10)18-12(6-7-22-5)13(21)19-15(3,4)9-20/h8,12,20H,6-7,9H2,1-5H3,(H,19,21)(H,16,17,18)
InChIKeyDXSCNPUNQJCABW-UHFFFAOYSA-N
XLogP1.51
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide 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-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide (CID 71703859) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide is CSCCC(Nc1nc(C)cc(C)n1)C(=O)NC(C)(C)CO.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is DXSCNPUNQJCABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-10-8-11(2)17-14(16-10)18-12(6-7-22-5)13(21)19-15(3,4)9-20/h8,12,20H,6-7,9H2,1-5H3,(H,19,21)(H,16,17,18).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 326.47 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 71703859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).