3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol

C8H13N3O2S — CID 115279576

IUPAC3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol
SMILESCc1cc(N)nc(SCC(O)CO)n1
InChIInChI=1S/C8H13N3O2S/c1-5-2-7(9)11-8(10-5)14-4-6(13)3-12/h2,6,12-13H,3-4H2,1H3,(H2,9,10,11)
InChIKeyPIJLPQPWVYELMO-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.19
Rot. Bonds4

About 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol

3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol (PubChem CID 115279576) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol
PubChem CID115279576
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol
SMILESCc1cc(N)nc(SCC(O)CO)n1
InChIInChI=1S/C8H13N3O2S/c1-5-2-7(9)11-8(10-5)14-4-6(13)3-12/h2,6,12-13H,3-4H2,1H3,(H2,9,10,11)
InChIKeyPIJLPQPWVYELMO-UHFFFAOYSA-N
XLogP-0.19
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol (CID 115279576) is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol is Cc1cc(N)nc(SCC(O)CO)n1.
What is the InChIKey of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol?
The InChIKey is PIJLPQPWVYELMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-2-7(9)11-8(10-5)14-4-6(13)3-12/h2,6,12-13H,3-4H2,1H3,(H2,9,10,11).
What are the key properties of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol?
3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol has a molecular weight of 215.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 115279576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).