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

C14H22N4O — CID 103922377

IUPAC(2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H22N4O/c1-5-12(8-19)16-10(3)13-7-15-14-6-9(2)17-18(14)11(13)4/h6-7,10,12,16,19H,5,8H2,1-4H3/t10?,12-/m1/s1
InChIKeyZZIDDTLFIRGOIN-TVKKRMFBSA-N
MW262.36 g/mol
LogP1.77
Rot. Bonds5

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

(2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol (PubChem CID 103922377) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
PubChem CID103922377
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C14H22N4O/c1-5-12(8-19)16-10(3)13-7-15-14-6-9(2)17-18(14)11(13)4/h6-7,10,12,16,19H,5,8H2,1-4H3/t10?,12-/m1/s1
InChIKeyZZIDDTLFIRGOIN-TVKKRMFBSA-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

Analyze (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol with MolForge

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Related Compounds

3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
CID 83147407
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115888540
1-cyclopropyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
CID 43533202
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylpropanamide
CID 43573838
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropane-1,2-diol
CID 66169884
(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 78930822
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine
CID 82707253
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-ethoxypropan-1-amine
CID 115888575
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978758
[1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115454498
1-cyclopropyl-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]ethanol
CID 63294854
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 104926763

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol (CID 103922377) is (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol is CC[C@H](CO)NC(C)c1cnc2cc(C)nn2c1C.
What is the InChIKey of (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol?
The InChIKey is ZZIDDTLFIRGOIN-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-12(8-19)16-10(3)13-7-15-14-6-9(2)17-18(14)11(13)4/h6-7,10,12,16,19H,5,8H2,1-4H3/t10?,12-/m1/s1.
What are the key properties of (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol?
(2R)-2-[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 (2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 103922377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).