6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine

C13H21N7 — CID 114785101

IUPAC6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
SMILESCC(CNc1nc(N)nc2nc[nH]c12)CN1CCCC1
InChIInChI=1S/C13H21N7/c1-9(7-20-4-2-3-5-20)6-15-11-10-12(17-8-16-10)19-13(14)18-11/h8-9H,2-7H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyJWELZZUZWFNQOP-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.08
Rot. Bonds5

About 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine

6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine (PubChem CID 114785101) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
PubChem CID114785101
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
SMILESCC(CNc1nc(N)nc2nc[nH]c12)CN1CCCC1
InChIInChI=1S/C13H21N7/c1-9(7-20-4-2-3-5-20)6-15-11-10-12(17-8-16-10)19-13(14)18-11/h8-9H,2-7H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyJWELZZUZWFNQOP-UHFFFAOYSA-N
XLogP1.08
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine
CID 104697676
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride
CID 173115368
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine (CID 114785101) is 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine is CC(CNc1nc(N)nc2nc[nH]c12)CN1CCCC1.
What is the InChIKey of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine?
The InChIKey is JWELZZUZWFNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-9(7-20-4-2-3-5-20)6-15-11-10-12(17-8-16-10)19-13(14)18-11/h8-9H,2-7H2,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine?
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).