(1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine

C17H26N4 — CID 81389560

IUPAC(1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
SMILESCc1cc2ncc(C(C)N[C@@H](C)C3CCCC3)c(C)n2n1
InChIInChI=1S/C17H26N4/c1-11-9-17-18-10-16(14(4)21(17)20-11)13(3)19-12(2)15-7-5-6-8-15/h9-10,12-13,15,19H,5-8H2,1-4H3/t12-,13?/m0/s1
InChIKeyYHSJLYLNIYAZLM-UEWDXFNNSA-N
MW286.42 g/mol
LogP3.58
Rot. Bonds4

About (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine

(1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine (PubChem CID 81389560) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
PubChem CID81389560
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name(1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
SMILESCc1cc2ncc(C(C)N[C@@H](C)C3CCCC3)c(C)n2n1
InChIInChI=1S/C17H26N4/c1-11-9-17-18-10-16(14(4)21(17)20-11)13(3)19-12(2)15-7-5-6-8-15/h9-10,12-13,15,19H,5-8H2,1-4H3/t12-,13?/m0/s1
InChIKeyYHSJLYLNIYAZLM-UEWDXFNNSA-N
XLogP3.58
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
CID 43533202
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]thiolan-3-amine
CID 103902685
1-cyclopropyl-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]ethanol
CID 63294854
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115888540
3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
CID 83147407
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-methoxyethanamine
CID 82707253
(2R)-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]butan-1-ol
CID 103922377
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N,N-dimethylpropanamide
CID 43573838
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 75471440
(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 78930822
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-methylpyrazol-4-amine
CID 43534776
[1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115454498

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine (CID 81389560) is (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine is Cc1cc2ncc(C(C)N[C@@H](C)C3CCCC3)c(C)n2n1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine?
The InChIKey is YHSJLYLNIYAZLM-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H26N4/c1-11-9-17-18-10-16(14(4)21(17)20-11)13(3)19-12(2)15-7-5-6-8-15/h9-10,12-13,15,19H,5-8H2,1-4H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine?
(1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine is sourced from PubChem (CID 81389560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).