2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine

C16H26N6 — CID 6605178

IUPAC2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine
SMILESCCCn1c(C)nc2c(NCCN3CCCC3)nc(C)nc21
InChIInChI=1S/C16H26N6/c1-4-8-22-13(3)20-14-15(18-12(2)19-16(14)22)17-7-11-21-9-5-6-10-21/h4-11H2,1-3H3,(H,17,18,19)
InChIKeyYPOFAGNKOGZLHB-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.36
Rot. Bonds6

About 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine

2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine (PubChem CID 6605178) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine.

Molecular Properties

Compound Name2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine
PubChem CID6605178
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine
SMILESCCCn1c(C)nc2c(NCCN3CCCC3)nc(C)nc21
InChIInChI=1S/C16H26N6/c1-4-8-22-13(3)20-14-15(18-12(2)19-16(14)22)17-7-11-21-9-5-6-10-21/h4-11H2,1-3H3,(H,17,18,19)
InChIKeyYPOFAGNKOGZLHB-UHFFFAOYSA-N
XLogP2.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-Ethyladenine
CID 7
8-Bromo-9-ethyladenine
CID 5248753
9-Cyclopentyladenine
CID 12852
9H-Purin-6-amine, N,9-dimethyl-
CID 94845
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
9-Propyl-9h-purin-6-amine
CID 247436
N,N-dibutyl-7H-purin-6-amine
CID 2155055
9-cyclopropyl-9H-purin-6-amine
CID 414708
6-(pyrrolidin-1-yl)-9H-purine
CID 756690
8-Bromo-9-butyl-9H-purin-6-amine
CID 11608719
N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
8-Bromo-9-isopropyl-9H-adenine
CID 44572292

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine?
The IUPAC name of 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine (CID 6605178) is 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine.
What is the SMILES notation for 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine?
The canonical SMILES for 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine is CCCn1c(C)nc2c(NCCN3CCCC3)nc(C)nc21.
What is the InChIKey of 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine?
The InChIKey is YPOFAGNKOGZLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-4-8-22-13(3)20-14-15(18-12(2)19-16(14)22)17-7-11-21-9-5-6-10-21/h4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine?
2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine has a molecular weight of 302.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-9-propyl-N-(2-pyrrolidin-1-ylethyl)purin-6-amine is sourced from PubChem (CID 6605178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).