3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol

C9H15N3O2S — CID 79682622

IUPAC3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
SMILESCN(C)c1nccc(SCC(O)CO)n1
InChIInChI=1S/C9H15N3O2S/c1-12(2)9-10-4-3-8(11-9)15-6-7(14)5-13/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeySOVULQUZWZRQNX-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.01
Rot. Bonds5

About 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol

3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol (PubChem CID 79682622) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
PubChem CID79682622
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
SMILESCN(C)c1nccc(SCC(O)CO)n1
InChIInChI=1S/C9H15N3O2S/c1-12(2)9-10-4-3-8(11-9)15-6-7(14)5-13/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeySOVULQUZWZRQNX-UHFFFAOYSA-N
XLogP-0.01
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(dimethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 66103753
2-[2-(dimethylamino)pyrimidin-4-yl]sulfanylacetic acid
CID 64831236
3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 79683055
3-[(5-tert-butyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 107875022
4-(4-chlorobutan-2-ylsulfanyl)-N,N-dimethylpyrimidin-2-amine
CID 66136977
(2R)-3-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 97049200
(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
CID 125489143
2-amino-1-[2-(dimethylamino)pyrimidin-4-yl]ethanol
CID 83876127
3-[(6-amino-5-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 79815553
3-[(4-amino-5-methyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 83267786
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]propane-1,2-diol
CID 75398484
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
CID 79822181

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol (CID 79682622) is 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol is CN(C)c1nccc(SCC(O)CO)n1.
What is the InChIKey of 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol?
The InChIKey is SOVULQUZWZRQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12(2)9-10-4-3-8(11-9)15-6-7(14)5-13/h3-4,7,13-14H,5-6H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol?
3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol has a molecular weight of 229.30 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 79682622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).