6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine

C13H20N6 — CID 114785656

IUPAC6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(N2CCC(C)(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-4-14-12-17-10-9(15-8-16-10)11(18-12)19-6-5-13(2,3)7-19/h8H,4-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyWHNDJBWKKONSIL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.02
Rot. Bonds3

About 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine

6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine (PubChem CID 114785656) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
PubChem CID114785656
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(N2CCC(C)(C)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-4-14-12-17-10-9(15-8-16-10)11(18-12)19-6-5-13(2,3)7-19/h8H,4-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyWHNDJBWKKONSIL-UHFFFAOYSA-N
XLogP2.02
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine with MolForge

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Related Compounds

3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
1-[2-(ethylamino)-7H-purin-6-yl]-1,4-diazepan-5-one
CID 114785109
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
CID 114786006
N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
CID 114783570
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114784944
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
N-ethyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-7H-purin-2-amine
CID 102887635
N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine
CID 123415453
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
CID 114786743
6-(3-ethylpyrrolidin-1-yl)-N-propyl-7H-purin-2-amine
CID 114786220
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine?
The IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine (CID 114785656) is 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine.
What is the SMILES notation for 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine?
The canonical SMILES for 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine is CCNc1nc(N2CCC(C)(C)C2)c2[nH]cnc2n1.
What is the InChIKey of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine?
The InChIKey is WHNDJBWKKONSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-14-12-17-10-9(15-8-16-10)11(18-12)19-6-5-13(2,3)7-19/h8H,4-7H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine?
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine is sourced from PubChem (CID 114785656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).