3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol

C12H21N3OS — CID 104842295

IUPAC3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
SMILESCCC(N)C(CO)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C12H21N3OS/c1-5-10(13)11(6-16)17-12-14-8(3)7(2)9(4)15-12/h10-11,16H,5-6,13H2,1-4H3
InChIKeyLJGVAMUCHQTPTH-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.59
Rot. Bonds5

About 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol

3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol (PubChem CID 104842295) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
PubChem CID104842295
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
SMILESCCC(N)C(CO)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C12H21N3OS/c1-5-10(13)11(6-16)17-12-14-8(3)7(2)9(4)15-12/h10-11,16H,5-6,13H2,1-4H3
InChIKeyLJGVAMUCHQTPTH-UHFFFAOYSA-N
XLogP1.59
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol?
The IUPAC name of 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol (CID 104842295) is 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol?
The canonical SMILES for 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol is CCC(N)C(CO)Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol?
The InChIKey is LJGVAMUCHQTPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-10(13)11(6-16)17-12-14-8(3)7(2)9(4)15-12/h10-11,16H,5-6,13H2,1-4H3.
What are the key properties of 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol?
3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 104842295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).