2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol

C8H13N3OS — CID 106973430

IUPAC2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1cc(N(C)CCO)ncn1
InChIInChI=1S/C8H13N3OS/c1-11(3-4-12)7-5-8(13-2)10-6-9-7/h5-6,12H,3-4H2,1-2H3
InChIKeyMOXSYJWLDXFNCX-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.63
Rot. Bonds4

About 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol

2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol (PubChem CID 106973430) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
PubChem CID106973430
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1cc(N(C)CCO)ncn1
InChIInChI=1S/C8H13N3OS/c1-11(3-4-12)7-5-8(13-2)10-6-9-7/h5-6,12H,3-4H2,1-2H3
InChIKeyMOXSYJWLDXFNCX-UHFFFAOYSA-N
XLogP0.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 106973458
2-[(6-methylsulfanylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 106973440
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethanol
CID 11658810
N-(2-chloro-3-methoxypropyl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
CID 106973714
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine
CID 106972381
2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
CID 121206050
N'-butyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973654
N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973855
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
N-(2-bromoethyl)-N-(2-methoxyethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106973802

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol (CID 106973430) is 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol is CSc1cc(N(C)CCO)ncn1.
What is the InChIKey of 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The InChIKey is MOXSYJWLDXFNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-11(3-4-12)7-5-8(13-2)10-6-9-7/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol?
2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol has a molecular weight of 199.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 106973430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).