3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol

C14H22N4O2 — CID 66169884

IUPAC3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol
SMILESCc1cc2ncc(C(C)NCC(C)(O)CO)c(C)n2n1
InChIInChI=1S/C14H22N4O2/c1-9-5-13-15-6-12(11(3)18(13)17-9)10(2)16-7-14(4,20)8-19/h5-6,10,16,19-20H,7-8H2,1-4H3
InChIKeyGXEAUDREWJOKBN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.74
Rot. Bonds5

About 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol

3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol (PubChem CID 66169884) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol
PubChem CID66169884
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol
SMILESCc1cc2ncc(C(C)NCC(C)(O)CO)c(C)n2n1
InChIInChI=1S/C14H22N4O2/c1-9-5-13-15-6-12(11(3)18(13)17-9)10(2)16-7-14(4,20)8-19/h5-6,10,16,19-20H,7-8H2,1-4H3
InChIKeyGXEAUDREWJOKBN-UHFFFAOYSA-N
XLogP0.74
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol (CID 66169884) is 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol is Cc1cc2ncc(C(C)NCC(C)(O)CO)c(C)n2n1.
What is the InChIKey of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol?
The InChIKey is GXEAUDREWJOKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-5-13-15-6-12(11(3)18(13)17-9)10(2)16-7-14(4,20)8-19/h5-6,10,16,19-20H,7-8H2,1-4H3.
What are the key properties of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol?
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol has a molecular weight of 278.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).