2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol

C12H18N4O2 — CID 70704892

IUPAC2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol
SMILESCC(C)c1cc(NC(CO)CO)n2nccc2n1
InChIInChI=1S/C12H18N4O2/c1-8(2)10-5-12(14-9(6-17)7-18)16-11(15-10)3-4-13-16/h3-5,8-9,14,17-18H,6-7H2,1-2H3
InChIKeyACDBBRGJCQIOEX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds5

About 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol

2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol (PubChem CID 70704892) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol
PubChem CID70704892
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol
SMILESCC(C)c1cc(NC(CO)CO)n2nccc2n1
InChIInChI=1S/C12H18N4O2/c1-8(2)10-5-12(14-9(6-17)7-18)16-11(15-10)3-4-13-16/h3-5,8-9,14,17-18H,6-7H2,1-2H3
InChIKeyACDBBRGJCQIOEX-UHFFFAOYSA-N
XLogP0.62
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol (CID 70704892) is 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol is CC(C)c1cc(NC(CO)CO)n2nccc2n1.
What is the InChIKey of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol?
The InChIKey is ACDBBRGJCQIOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)10-5-12(14-9(6-17)7-18)16-11(15-10)3-4-13-16/h3-5,8-9,14,17-18H,6-7H2,1-2H3.
What are the key properties of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol?
2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol has a molecular weight of 250.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol is sourced from PubChem (CID 70704892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).