2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol

C10H17N3O2S — CID 107866289

IUPAC2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3O2S/c1-3-10(5-14,6-15)13-8-4-9(16-2)12-7-11-8/h4,7,14-15H,3,5-6H2,1-2H3,(H,11,12,13)
InChIKeyUOVJOJVMDNJRAC-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.74
Rot. Bonds6

About 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol

2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 107866289) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID107866289
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3O2S/c1-3-10(5-14,6-15)13-8-4-9(16-2)12-7-11-8/h4,7,14-15H,3,5-6H2,1-2H3,(H,11,12,13)
InChIKeyUOVJOJVMDNJRAC-UHFFFAOYSA-N
XLogP0.74
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866444
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164755
2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866139
2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 66328418
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 106973096
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butanoic acid
CID 106972325
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106277817

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol (CID 107866289) is 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol is CCC(CO)(CO)Nc1cc(SC)ncn1.
What is the InChIKey of 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is UOVJOJVMDNJRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-10(5-14,6-15)13-8-4-9(16-2)12-7-11-8/h4,7,14-15H,3,5-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol?
2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 243.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107866289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).