N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine

C13H20N6 — CID 55090578

IUPACN-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C13H20N6/c1-9(2)14-6-10-4-3-5-19(10)13-11-12(16-7-15-11)17-8-18-13/h7-10,14H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyVRDKLIPWYNDDNL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.32
Rot. Bonds4

About N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 55090578) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID55090578
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C13H20N6/c1-9(2)14-6-10-4-3-5-19(10)13-11-12(16-7-15-11)17-8-18-13/h7-10,14H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyVRDKLIPWYNDDNL-UHFFFAOYSA-N
XLogP1.32
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-fluoro-N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline
CID 143922892
2-chloro-N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline
CID 67314434
6-[(2S)-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 68708911
6-(2-methylpiperidin-1-yl)-7H-purine
CID 131955162
6-[2-[(4-chlorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 67314760
6-[2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine
CID 67446424
6-[(2R)-2-[(7-propan-2-yloxynaphthalen-1-yl)oxymethyl]pyrrolidin-1-yl]-7H-purine
CID 58534769
6-(2-phenylpyrrolidin-1-yl)-7H-purine
CID 172882054
4-[[1-(7H-purin-6-yl)piperidin-2-yl]methyl]benzonitrile
CID 167893037
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854249
6-[2-(1-naphthalen-1-yloxyethyl)pyrrolidin-1-yl]-7H-purine
CID 123696018

Frequently Asked Questions

What is the IUPAC name of N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 55090578) is N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCN1c1ncnc2nc[nH]c12.
What is the InChIKey of N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is VRDKLIPWYNDDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9(2)14-6-10-4-3-5-19(10)13-11-12(16-7-15-11)17-8-18-13/h7-10,14H,3-6H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55090578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).