N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine

C13H20N6 — CID 146128239

IUPACN-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(C)CC1CCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C13H20N6/c1-3-18(2)6-10-4-5-19(7-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyFVTQHZQSTFKHME-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine

N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 146128239) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID146128239
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(C)CC1CCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C13H20N6/c1-3-18(2)6-10-4-5-19(7-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyFVTQHZQSTFKHME-UHFFFAOYSA-N
XLogP1.13
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 100694538
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97212210
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
(2R)-2-ethyl-4-(7H-purin-6-yl)morpholine
CID 94145887
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553426
6-[(3S)-3-ethylsulfanylazepan-1-yl]-7H-purine
CID 95622987
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 146128239) is N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine is CCN(C)CC1CCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is FVTQHZQSTFKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-18(2)6-10-4-5-19(7-10)13-11-12(15-8-14-11)16-9-17-13/h8-10H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 146128239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).