3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol

C11H17N3O2S — CID 80995079

IUPAC3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1c(N)nc(C2CC2)nc1SCC(O)CO
InChIInChI=1S/C11H17N3O2S/c1-6-9(12)13-10(7-2-3-7)14-11(6)17-5-8(16)4-15/h7-8,15-16H,2-5H2,1H3,(H2,12,13,14)
InChIKeyVARRJPDBIDYFBO-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.69
Rot. Bonds5

About 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol

3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 80995079) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
PubChem CID80995079
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESCc1c(N)nc(C2CC2)nc1SCC(O)CO
InChIInChI=1S/C11H17N3O2S/c1-6-9(12)13-10(7-2-3-7)14-11(6)17-5-8(16)4-15/h7-8,15-16H,2-5H2,1H3,(H2,12,13,14)
InChIKeyVARRJPDBIDYFBO-UHFFFAOYSA-N
XLogP0.69
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol (CID 80995079) is 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol is Cc1c(N)nc(C2CC2)nc1SCC(O)CO.
What is the InChIKey of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is VARRJPDBIDYFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6-9(12)13-10(7-2-3-7)14-11(6)17-5-8(16)4-15/h7-8,15-16H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 255.34 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 80995079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).