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

C11H17N5O2 — CID 59085380

IUPACN-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide
SMILESCCN1C=NC2C(=O)NC(NC(=O)C(C)C)=NC21
InChIInChI=1S/C11H17N5O2/c1-4-16-5-12-7-8(16)13-11(15-10(7)18)14-9(17)6(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15,17,18)
InChIKeyYLIADBKSUWTTPK-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.70
Rot. Bonds2

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

N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide (PubChem CID 59085380) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide
PubChem CID59085380
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide
SMILESCCN1C=NC2C(=O)NC(NC(=O)C(C)C)=NC21
InChIInChI=1S/C11H17N5O2/c1-4-16-5-12-7-8(16)13-11(15-10(7)18)14-9(17)6(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15,17,18)
InChIKeyYLIADBKSUWTTPK-UHFFFAOYSA-N
XLogP-0.70
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
2-amino-9-ethyl-4,5-dihydro-1H-purin-6-one
CID 10120447
3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide
CID 10729747
2-amino-7-methyl-9-propan-2-yl-4,5-dihydro-1H-purin-7-ium-6-one
CID 18344518
N-(9-butan-2-yl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide
CID 18731490
2-methyl-N-(9-methyl-6-oxo-4,5-dihydro-1H-purin-2-yl)propanamide
CID 21344766
2-methyl-N-(6-oxo-9-propan-2-yl-4,5-dihydro-1H-purin-2-yl)propanamide
CID 22952700
3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 45272369
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(2-methylbutyl)acetamide
CID 54760769
2-amino-9-tert-butyl-7-ethanimidoyl-4,5-dihydro-1H-purin-9-ium-6-one
CID 58338706
N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-N-methylpropanamide
CID 59093099

Frequently Asked Questions

What is the IUPAC name of N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide (CID 59085380) is N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide is CCN1C=NC2C(=O)NC(NC(=O)C(C)C)=NC21.
What is the InChIKey of N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide?
The InChIKey is YLIADBKSUWTTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-4-16-5-12-7-8(16)13-11(15-10(7)18)14-9(17)6(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15,17,18).
What are the key properties of N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide?
N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide has a molecular weight of 251.29 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethyl-6-oxo-4,5-dihydro-1H-purin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 59085380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).