3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol

C8H14N4OS — CID 107772733

IUPAC3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1cc(N)nc(N)n1
InChIInChI=1S/C8H14N4OS/c1-4(13)5(2)14-7-3-6(9)11-8(10)12-7/h3-5,13H,1-2H3,(H4,9,10,11,12)
InChIKeyOJYVWKAHQXBCOM-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.50
Rot. Bonds3

About 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol

3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol (PubChem CID 107772733) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
PubChem CID107772733
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCC(O)C(C)Sc1cc(N)nc(N)n1
InChIInChI=1S/C8H14N4OS/c1-4(13)5(2)14-7-3-6(9)11-8(10)12-7/h3-5,13H,1-2H3,(H4,9,10,11,12)
InChIKeyOJYVWKAHQXBCOM-UHFFFAOYSA-N
XLogP0.50
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol 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 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol?
The IUPAC name of 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol (CID 107772733) is 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol.
What is the SMILES notation for 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol?
The canonical SMILES for 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol is CC(O)C(C)Sc1cc(N)nc(N)n1.
What is the InChIKey of 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol?
The InChIKey is OJYVWKAHQXBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4(13)5(2)14-7-3-6(9)11-8(10)12-7/h3-5,13H,1-2H3,(H4,9,10,11,12).
What are the key properties of 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol?
3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol has a molecular weight of 214.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diaminopyrimidin-4-yl)sulfanylbutan-2-ol is sourced from PubChem (CID 107772733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).