2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide

C18H20N8O2 — CID 166244455

IUPAC2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCc1ccc(N2CCNC2=O)cc1NC(=O)C(C)n1cnc2c(N)ncnc21
InChIInChI=1S/C18H20N8O2/c1-10-3-4-12(25-6-5-20-18(25)28)7-13(10)24-17(27)11(2)26-9-23-14-15(19)21-8-22-16(14)26/h3-4,7-9,11H,5-6H2,1-2H3,(H,20,28)(H,24,27)(H2,19,21,22)
InChIKeyIQORONXWHRMJEZ-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.45
Rot. Bonds4

About 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide

2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 166244455) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID166244455
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCc1ccc(N2CCNC2=O)cc1NC(=O)C(C)n1cnc2c(N)ncnc21
InChIInChI=1S/C18H20N8O2/c1-10-3-4-12(25-6-5-20-18(25)28)7-13(10)24-17(27)11(2)26-9-23-14-15(19)21-8-22-16(14)26/h3-4,7-9,11H,5-6H2,1-2H3,(H,20,28)(H,24,27)(H2,19,21,22)
InChIKeyIQORONXWHRMJEZ-UHFFFAOYSA-N
XLogP1.45
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide (CID 166244455) is 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide is Cc1ccc(N2CCNC2=O)cc1NC(=O)C(C)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is IQORONXWHRMJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-10-3-4-12(25-6-5-20-18(25)28)7-13(10)24-17(27)11(2)26-9-23-14-15(19)21-8-22-16(14)26/h3-4,7-9,11H,5-6H2,1-2H3,(H,20,28)(H,24,27)(H2,19,21,22).
What are the key properties of 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 380.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 166244455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).