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

C14H22N4O — CID 83147407

IUPAC3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
SMILESCc1cc2ncc(C(C)NC(C)CCO)c(C)n2n1
InChIInChI=1S/C14H22N4O/c1-9(5-6-19)16-11(3)13-8-15-14-7-10(2)17-18(14)12(13)4/h7-9,11,16,19H,5-6H2,1-4H3
InChIKeyKVGGCZPGKHEANM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.77
Rot. Bonds5

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

3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol (PubChem CID 83147407) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
PubChem CID83147407
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
SMILESCc1cc2ncc(C(C)NC(C)CCO)c(C)n2n1
InChIInChI=1S/C14H22N4O/c1-9(5-6-19)16-11(3)13-8-15-14-7-10(2)17-18(14)12(13)4/h7-9,11,16,19H,5-6H2,1-4H3
InChIKeyKVGGCZPGKHEANM-UHFFFAOYSA-N
XLogP1.77
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]butan-1-ol?
The IUPAC name of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol (CID 83147407) is 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol is Cc1cc2ncc(C(C)NC(C)CCO)c(C)n2n1.
What is the InChIKey of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol?
The InChIKey is KVGGCZPGKHEANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(5-6-19)16-11(3)13-8-15-14-7-10(2)17-18(14)12(13)4/h7-9,11,16,19H,5-6H2,1-4H3.
What are the key properties of 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol?
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 83147407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).