N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane

C9H19N3O4S — CID 144808191

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane
SMILESCC.COc1cc(NS(C)(O)O)nc(OC)n1
InChIInChI=1S/C7H13N3O4S.C2H6/c1-13-6-4-5(10-15(3,11)12)8-7(9-6)14-2;1-2/h4,11-12H,1-3H3,(H,8,9,10);1-2H3
InChIKeyJAKHUNJGCMASTH-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.23
Rot. Bonds4

About N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane

N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane (PubChem CID 144808191) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane
PubChem CID144808191
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane
SMILESCC.COc1cc(NS(C)(O)O)nc(OC)n1
InChIInChI=1S/C7H13N3O4S.C2H6/c1-13-6-4-5(10-15(3,11)12)8-7(9-6)14-2;1-2/h4,11-12H,1-3H3,(H,8,9,10);1-2H3
InChIKeyJAKHUNJGCMASTH-UHFFFAOYSA-N
XLogP2.23
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane 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 N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane (CID 144808191) is N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane is CC.COc1cc(NS(C)(O)O)nc(OC)n1.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane?
The InChIKey is JAKHUNJGCMASTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S.C2H6/c1-13-6-4-5(10-15(3,11)12)8-7(9-6)14-2;1-2/h4,11-12H,1-3H3,(H,8,9,10);1-2H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane?
N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane has a molecular weight of 265.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,6-dimethoxypyrimidin-4-amine;ethane is sourced from PubChem (CID 144808191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).