N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide

C13H18N6O — CID 155974091

IUPACN-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ncnc3c2ncn3C)C1
InChIInChI=1S/C13H18N6O/c1-9(20)18(3)10-4-5-19(6-10)13-11-12(14-7-15-13)17(2)8-16-11/h7-8,10H,4-6H2,1-3H3
InChIKeyQYISJMRTJXKUPS-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.42
Rot. Bonds2

About N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide

N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide (PubChem CID 155974091) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
PubChem CID155974091
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ncnc3c2ncn3C)C1
InChIInChI=1S/C13H18N6O/c1-9(20)18(3)10-4-5-19(6-10)13-11-12(14-7-15-13)17(2)8-16-11/h7-8,10H,4-6H2,1-3H3
InChIKeyQYISJMRTJXKUPS-UHFFFAOYSA-N
XLogP0.42
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide (CID 155974091) is N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide is CC(=O)N(C)C1CCN(c2ncnc3c2ncn3C)C1.
What is the InChIKey of N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is QYISJMRTJXKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9(20)18(3)10-4-5-19(6-10)13-11-12(14-7-15-13)17(2)8-16-11/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide?
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 274.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 155974091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).