2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide

C9H13N5O2 — CID 137300524

IUPAC2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2c(c(=O)[nH]1)NCN2
InChIInChI=1S/C9H13N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h4,10H,3H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyPQCIWHDBZRTGSY-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.16
Rot. Bonds2

About 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide

2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide (PubChem CID 137300524) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide
PubChem CID137300524
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2c(c(=O)[nH]1)NCN2
InChIInChI=1S/C9H13N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h4,10H,3H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyPQCIWHDBZRTGSY-UHFFFAOYSA-N
XLogP0.16
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide (CID 137300524) is 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide is CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)NCN2.
What is the InChIKey of 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide?
The InChIKey is PQCIWHDBZRTGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h4,10H,3H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide?
2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide has a molecular weight of 223.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxo-1,7,8,9-tetrahydropurin-2-yl)propanamide is sourced from PubChem (CID 137300524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).