(2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol

C12H18N4O3 — CID 95862211

IUPAC(2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol
SMILESCOCc1cc(N(C)C[C@H](O)CO)n2nccc2n1
InChIInChI=1S/C12H18N4O3/c1-15(6-10(18)7-17)12-5-9(8-19-2)14-11-3-4-13-16(11)12/h3-5,10,17-18H,6-8H2,1-2H3/t10-/m0/s1
InChIKeyOQKZSPYCAJEFOM-JTQLQIEISA-N
MW266.30 g/mol
LogP-0.33
Rot. Bonds6

About (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol

(2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol (PubChem CID 95862211) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol
PubChem CID95862211
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol
SMILESCOCc1cc(N(C)C[C@H](O)CO)n2nccc2n1
InChIInChI=1S/C12H18N4O3/c1-15(6-10(18)7-17)12-5-9(8-19-2)14-11-3-4-13-16(11)12/h3-5,10,17-18H,6-8H2,1-2H3/t10-/m0/s1
InChIKeyOQKZSPYCAJEFOM-JTQLQIEISA-N
XLogP-0.33
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol (CID 95862211) is (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol is COCc1cc(N(C)C[C@H](O)CO)n2nccc2n1.
What is the InChIKey of (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol?
The InChIKey is OQKZSPYCAJEFOM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15(6-10(18)7-17)12-5-9(8-19-2)14-11-3-4-13-16(11)12/h3-5,10,17-18H,6-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol?
(2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol has a molecular weight of 266.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]propane-1,2-diol is sourced from PubChem (CID 95862211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).