2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine

C14H21N5 — CID 131860842

IUPAC2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine
SMILESCCCn1c(C)nc2c(N3CCCC3)nc(C)nc21
InChIInChI=1S/C14H21N5/c1-4-7-19-11(3)17-12-13(18-8-5-6-9-18)15-10(2)16-14(12)19/h4-9H2,1-3H3
InChIKeyWCYJXEBNHSTRRB-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.45
Rot. Bonds3

About 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine

2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine (PubChem CID 131860842) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine.

Molecular Properties

Compound Name2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine
PubChem CID131860842
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine
SMILESCCCn1c(C)nc2c(N3CCCC3)nc(C)nc21
InChIInChI=1S/C14H21N5/c1-4-7-19-11(3)17-12-13(18-8-5-6-9-18)15-10(2)16-14(12)19/h4-9H2,1-3H3
InChIKeyWCYJXEBNHSTRRB-UHFFFAOYSA-N
XLogP2.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-fluorophenyl)-2-methyl-9-propyl-6-pyrrolidin-1-ylpurine
CID 57488418
2,8-dimethyl-9-propyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 6605186
6-(4-benzyl-1,4-diazepan-1-yl)-8-(4-fluorophenyl)-2-methyl-9-propylpurine
CID 6605081
4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one
CID 168920876
2-[8-(2-chlorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpurin-9-yl]ethanamine;hydrochloride
CID 67446835
1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine
CID 39893215
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 718473
3-[8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)purin-9-yl]propanenitrile
CID 71138354
2-(5-chloro-2-methyl-4-pyrrolidin-1-ylimidazol-1-yl)ethanol
CID 23064550
8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-[[(2S)-oxolan-2-yl]methyl]purine
CID 59374652
2-(5-chloro-2-methyl-4-piperidin-1-ylimidazol-1-yl)ethanol
CID 23064434

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine?
The IUPAC name of 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine (CID 131860842) is 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine.
What is the SMILES notation for 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine?
The canonical SMILES for 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine is CCCn1c(C)nc2c(N3CCCC3)nc(C)nc21.
What is the InChIKey of 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine?
The InChIKey is WCYJXEBNHSTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-7-19-11(3)17-12-13(18-8-5-6-9-18)15-10(2)16-14(12)19/h4-9H2,1-3H3.
What are the key properties of 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine?
2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine has a molecular weight of 259.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine is sourced from PubChem (CID 131860842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).