2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine

C13H19ClN6 — CID 104697676

IUPAC2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine
SMILESCC(CNc1nc(Cl)nc2nc[nH]c12)CN1CCCC1
InChIInChI=1S/C13H19ClN6/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,(H2,15,16,17,18,19)
InChIKeyLWTRAVGDNRWYSA-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.15
Rot. Bonds5

About 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine

2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine (PubChem CID 104697676) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine
PubChem CID104697676
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine
SMILESCC(CNc1nc(Cl)nc2nc[nH]c12)CN1CCCC1
InChIInChI=1S/C13H19ClN6/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,(H2,15,16,17,18,19)
InChIKeyLWTRAVGDNRWYSA-UHFFFAOYSA-N
XLogP2.15
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
CID 114785101
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
2-chloro-N-(5-methylhexyl)-7H-purin-6-amine
CID 113442702
1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol
CID 104697738
5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831006
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
2-[(2-chloro-7H-purin-6-yl)amino]-3-methylbutan-1-ol
CID 104697768
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417
2-chloro-N-(2-prop-2-ynylsulfanylethyl)-7H-purin-6-amine
CID 106432038
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62994572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine (CID 104697676) is 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine is CC(CNc1nc(Cl)nc2nc[nH]c12)CN1CCCC1.
What is the InChIKey of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine?
The InChIKey is LWTRAVGDNRWYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/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,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine?
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine has a molecular weight of 294.79 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine is sourced from PubChem (CID 104697676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).