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

C12H19N5O2 — CID 22952700

IUPAC2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide
SMILESCC(C)C(=O)NC1=NC2C(N=CN2C(C)C)C(=O)N1
InChIInChI=1S/C12H19N5O2/c1-6(2)10(18)15-12-14-9-8(11(19)16-12)13-5-17(9)7(3)4/h5-9H,1-4H3,(H2,14,15,16,18,19)
InChIKeyZGMKFUPGOMNOMJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.31
Rot. Bonds2

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

2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide (PubChem CID 22952700) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide
PubChem CID22952700
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide
SMILESCC(C)C(=O)NC1=NC2C(N=CN2C(C)C)C(=O)N1
InChIInChI=1S/C12H19N5O2/c1-6(2)10(18)15-12-14-9-8(11(19)16-12)13-5-17(9)7(3)4/h5-9H,1-4H3,(H2,14,15,16,18,19)
InChIKeyZGMKFUPGOMNOMJ-UHFFFAOYSA-N
XLogP-0.31
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide (CID 22952700) is 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide is CC(C)C(=O)NC1=NC2C(N=CN2C(C)C)C(=O)N1.
What is the InChIKey of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide?
The InChIKey is ZGMKFUPGOMNOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-6(2)10(18)15-12-14-9-8(11(19)16-12)13-5-17(9)7(3)4/h5-9H,1-4H3,(H2,14,15,16,18,19).
What are the key properties of 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide?
2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide has a molecular weight of 265.32 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide is sourced from PubChem (CID 22952700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).