1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol

C13H20N6O — CID 114786006

IUPAC1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
SMILESCCNc1nc(N2CCC(C(C)O)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-3-14-13-17-11-10(15-7-16-11)12(18-13)19-5-4-9(6-19)8(2)20/h7-9,20H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyFWBPYMJYMNCRJE-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.99
Rot. Bonds4

About 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol

1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114786006) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
PubChem CID114786006
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol
SMILESCCNc1nc(N2CCC(C(C)O)C2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-3-14-13-17-11-10(15-7-16-11)12(18-13)19-5-4-9(6-19)8(2)20/h7-9,20H,3-6H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyFWBPYMJYMNCRJE-UHFFFAOYSA-N
XLogP0.99
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)-7H-purin-2-amine
CID 114786604
6-(3-ethylpyrrolidin-1-yl)-N-propyl-7H-purin-2-amine
CID 114786220
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
CID 114785384
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114784944
N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
CID 114783570
1-[2-(ethylamino)-7H-purin-6-yl]-1,4-diazepan-5-one
CID 114785109
N-ethyl-6-(3-propan-2-ylpyrazol-1-yl)-7H-purin-2-amine
CID 114786701
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
CID 114786743

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol (CID 114786006) is 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol is CCNc1nc(N2CCC(C(C)O)C2)c2[nH]cnc2n1.
What is the InChIKey of 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is FWBPYMJYMNCRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-14-13-17-11-10(15-7-16-11)12(18-13)19-5-4-9(6-19)8(2)20/h7-9,20H,3-6H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(ethylamino)-7H-purin-6-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114786006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).