2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide

C14H20N6O — CID 166293646

IUPAC2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide
SMILESCn1cnc2c(N3CC(C)(C)CC3CC(N)=O)ncnc21
InChIInChI=1S/C14H20N6O/c1-14(2)5-9(4-10(15)21)20(6-14)13-11-12(16-7-17-13)19(3)8-18-11/h7-9H,4-6H2,1-3H3,(H2,15,21)
InChIKeyXWTSSRJZVMSVKD-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.84
Rot. Bonds3

About 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide

2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide (PubChem CID 166293646) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide
PubChem CID166293646
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide
SMILESCn1cnc2c(N3CC(C)(C)CC3CC(N)=O)ncnc21
InChIInChI=1S/C14H20N6O/c1-14(2)5-9(4-10(15)21)20(6-14)13-11-12(16-7-17-13)19(3)8-18-11/h7-9H,4-6H2,1-3H3,(H2,15,21)
InChIKeyXWTSSRJZVMSVKD-UHFFFAOYSA-N
XLogP0.84
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide (CID 166293646) is 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide is Cn1cnc2c(N3CC(C)(C)CC3CC(N)=O)ncnc21.
What is the InChIKey of 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide?
The InChIKey is XWTSSRJZVMSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-14(2)5-9(4-10(15)21)20(6-14)13-11-12(16-7-17-13)19(3)8-18-11/h7-9H,4-6H2,1-3H3,(H2,15,21).
What are the key properties of 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide?
2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethyl-1-(9-methylpurin-6-yl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166293646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).