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

C11H15ClN6 — CID 104787342

IUPAC1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(Cl)nc3nc[nH]c23)C1
InChIInChI=1S/C11H15ClN6/c1-17(2)7-3-4-18(5-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyNARGLNANWFEZBC-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.15
Rot. Bonds2

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

1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 104787342) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID104787342
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc(Cl)nc3nc[nH]c23)C1
InChIInChI=1S/C11H15ClN6/c1-17(2)7-3-4-18(5-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyNARGLNANWFEZBC-UHFFFAOYSA-N
XLogP1.15
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(4-propan-2-ylazepan-1-yl)-7H-purine
CID 104787375
2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
CID 104787123
8-(2-chloro-7H-purin-6-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 59605463
1-(6-chloro-7H-purin-8-yl)-N,N-dimethylpyrrolidin-3-amine
CID 118139230
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
1-(2-chloro-7H-purin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692060
2-(2-chloro-7H-purin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 104787339
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 103321619
4-(2-chloro-7H-purin-6-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 146153091

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine (CID 104787342) is 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc(Cl)nc3nc[nH]c23)C1.
What is the InChIKey of 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NARGLNANWFEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-17(2)7-3-4-18(5-7)10-8-9(14-6-13-8)15-11(12)16-10/h6-7H,3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 266.74 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7H-purin-6-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 104787342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).