5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride

C16H27Cl2N5 — CID 154894521

IUPAC5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride
SMILESCCc1cc(NCC[C@H]2CCCN2)n2nc(C)c(C)c2n1.Cl.Cl
InChIInChI=1S/C16H25N5.2ClH/c1-4-13-10-15(18-9-7-14-6-5-8-17-14)21-16(19-13)11(2)12(3)20-21;;/h10,14,17-18H,4-9H2,1-3H3;2*1H/t14-;;/m1../s1
InChIKeyXHSKSTAAEJZVSD-FMOMHUKBSA-N
MW360.33 g/mol
LogP3.31
Rot. Bonds5

About 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride

5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride (PubChem CID 154894521) has the molecular formula C16H27Cl2N5 and a molecular weight of 360.33 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride
PubChem CID154894521
Molecular FormulaC16H27Cl2N5
Molecular Weight360.33 g/mol
Exact Mass359.16
IUPAC Name5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride
SMILESCCc1cc(NCC[C@H]2CCCN2)n2nc(C)c(C)c2n1.Cl.Cl
InChIInChI=1S/C16H25N5.2ClH/c1-4-13-10-15(18-9-7-14-6-5-8-17-14)21-16(19-13)11(2)12(3)20-21;;/h10,14,17-18H,4-9H2,1-3H3;2*1H/t14-;;/m1../s1
InChIKeyXHSKSTAAEJZVSD-FMOMHUKBSA-N
XLogP3.31
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride with MolForge

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Related Compounds

N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70717031
5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 104973121
5-ethyl-N-(1H-imidazol-2-ylmethyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70772919
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
4-[(1R)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95868851
(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95880768
3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
CID 104973321
2,3,5-trimethyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56917582
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
CID 82694533
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride?
The IUPAC name of 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride (CID 154894521) is 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride?
The canonical SMILES for 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride is CCc1cc(NCC[C@H]2CCCN2)n2nc(C)c(C)c2n1.Cl.Cl.
What is the InChIKey of 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride?
The InChIKey is XHSKSTAAEJZVSD-FMOMHUKBSA-N. The full InChI is InChI=1S/C16H25N5.2ClH/c1-4-13-10-15(18-9-7-14-6-5-8-17-14)21-16(19-13)11(2)12(3)20-21;;/h10,14,17-18H,4-9H2,1-3H3;2*1H/t14-;;/m1../s1.
What are the key properties of 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride?
5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;dihydrochloride is sourced from PubChem (CID 154894521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).