2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol

C12H21N3OS — CID 64808173

IUPAC2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol
SMILESCc1cc(C)nc(SCCCC(C)(N)CO)n1
InChIInChI=1S/C12H21N3OS/c1-9-7-10(2)15-11(14-9)17-6-4-5-12(3,13)8-16/h7,16H,4-6,8,13H2,1-3H3
InChIKeyWXDRYAWPMRPSFV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol

2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol (PubChem CID 64808173) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol
PubChem CID64808173
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol
SMILESCc1cc(C)nc(SCCCC(C)(N)CO)n1
InChIInChI=1S/C12H21N3OS/c1-9-7-10(2)15-11(14-9)17-6-4-5-12(3,13)8-16/h7,16H,4-6,8,13H2,1-3H3
InChIKeyWXDRYAWPMRPSFV-UHFFFAOYSA-N
XLogP1.68
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol (CID 64808173) is 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol is Cc1cc(C)nc(SCCCC(C)(N)CO)n1.
What is the InChIKey of 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol?
The InChIKey is WXDRYAWPMRPSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-7-10(2)15-11(14-9)17-6-4-5-12(3,13)8-16/h7,16H,4-6,8,13H2,1-3H3.
What are the key properties of 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol?
2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpentan-1-ol is sourced from PubChem (CID 64808173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).