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

C9H16N4OS — CID 80765964

IUPAC2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
SMILESCCNc1cc(NCCO)nc(SC)n1
InChIInChI=1S/C9H16N4OS/c1-3-10-7-6-8(11-4-5-14)13-9(12-7)15-2/h6,14H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyYHRHCJXNJUPZAP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.03
Rot. Bonds6

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

2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol (PubChem CID 80765964) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
PubChem CID80765964
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
SMILESCCNc1cc(NCCO)nc(SC)n1
InChIInChI=1S/C9H16N4OS/c1-3-10-7-6-8(11-4-5-14)13-9(12-7)15-2/h6,14H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyYHRHCJXNJUPZAP-UHFFFAOYSA-N
XLogP1.03
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(ethylamino)-2-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

4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
6-N-ethyl-2-methylsulfanyl-4-N-(4-methylsulfanylbutyl)pyrimidine-4,6-diamine
CID 113488426
4-N-[4-(dimethylamino)butyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817211
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
CID 113493058
[1-[[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313781
6-N-ethyl-2-methylsulfanyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80775330
3-[2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311792
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80853557
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80780195

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol (CID 80765964) is 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol is CCNc1cc(NCCO)nc(SC)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol?
The InChIKey is YHRHCJXNJUPZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-10-7-6-8(11-4-5-14)13-9(12-7)15-2/h6,14H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol?
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol has a molecular weight of 228.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80765964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).