2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol

C12H19N3OS — CID 113288637

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol
SMILESCc1cc(N)nc(SC2CCCCCC2O)n1
InChIInChI=1S/C12H19N3OS/c1-8-7-11(13)15-12(14-8)17-10-6-4-2-3-5-9(10)16/h7,9-10,16H,2-6H2,1H3,(H2,13,14,15)
InChIKeySOXMTGIQQRYGIO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol

2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol (PubChem CID 113288637) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol
PubChem CID113288637
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol
SMILESCc1cc(N)nc(SC2CCCCCC2O)n1
InChIInChI=1S/C12H19N3OS/c1-8-7-11(13)15-12(14-8)17-10-6-4-2-3-5-9(10)16/h7,9-10,16H,2-6H2,1H3,(H2,13,14,15)
InChIKeySOXMTGIQQRYGIO-UHFFFAOYSA-N
XLogP2.15
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-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 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol (CID 113288637) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol is Cc1cc(N)nc(SC2CCCCCC2O)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol?
The InChIKey is SOXMTGIQQRYGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-7-11(13)15-12(14-8)17-10-6-4-2-3-5-9(10)16/h7,9-10,16H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylcycloheptan-1-ol is sourced from PubChem (CID 113288637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).