2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide

C10H15N5O2 — CID 21344766

IUPAC2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide
SMILESCC(C)C(=O)NC1=NC2C(N=CN2C)C(=O)N1
InChIInChI=1S/C10H15N5O2/c1-5(2)8(16)13-10-12-7-6(9(17)14-10)11-4-15(7)3/h4-7H,1-3H3,(H2,12,13,14,16,17)
InChIKeyLKCSQGXIHYGTIQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.09
Rot. Bonds1

About 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide

2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide (PubChem CID 21344766) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide
PubChem CID21344766
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide
SMILESCC(C)C(=O)NC1=NC2C(N=CN2C)C(=O)N1
InChIInChI=1S/C10H15N5O2/c1-5(2)8(16)13-10-12-7-6(9(17)14-10)11-4-15(7)3/h4-7H,1-3H3,(H2,12,13,14,16,17)
InChIKeyLKCSQGXIHYGTIQ-UHFFFAOYSA-N
XLogP-1.09
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide (CID 21344766) is 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide is CC(C)C(=O)NC1=NC2C(N=CN2C)C(=O)N1.
What is the InChIKey of 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide?
The InChIKey is LKCSQGXIHYGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-5(2)8(16)13-10-12-7-6(9(17)14-10)11-4-15(7)3/h4-7H,1-3H3,(H2,12,13,14,16,17).
What are the key properties of 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide?
2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide has a molecular weight of 237.26 g/mol, XLogP of -1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide is sourced from PubChem (CID 21344766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).