N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C17H20N6 — CID 16627027

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(C(CNc2ncnc3[nH]ncc23)N2CCCC2)cc1
InChIInChI=1S/C17H20N6/c1-2-6-13(7-3-1)15(23-8-4-5-9-23)11-18-16-14-10-21-22-17(14)20-12-19-16/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H2,18,19,20,21,22)
InChIKeyMEQRXCBSRFZNRK-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.60
Rot. Bonds5

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 16627027) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID16627027
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(C(CNc2ncnc3[nH]ncc23)N2CCCC2)cc1
InChIInChI=1S/C17H20N6/c1-2-6-13(7-3-1)15(23-8-4-5-9-23)11-18-16-14-10-21-22-17(14)20-12-19-16/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H2,18,19,20,21,22)
InChIKeyMEQRXCBSRFZNRK-UHFFFAOYSA-N
XLogP2.60
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430906
N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286334
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 4798081
1-(1-methylpyrazol-4-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanol
CID 133323419
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
CID 133342484
N'-(1-phenyltetrazol-5-yl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 71852756
N-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154778938
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide
CID 126429262
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
5-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299897

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 16627027) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc(C(CNc2ncnc3[nH]ncc23)N2CCCC2)cc1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MEQRXCBSRFZNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-6-13(7-3-1)15(23-8-4-5-9-23)11-18-16-14-10-21-22-17(14)20-12-19-16/h1-3,6-7,10,12,15H,4-5,8-9,11H2,(H2,18,19,20,21,22).
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 16627027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).