3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide

C9H12N6O2 — CID 129251337

IUPAC3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide
SMILESCC(CC1(N)N=C2N=CN=C2C(=O)N1)C(N)=O
InChIInChI=1S/C9H12N6O2/c1-4(6(10)16)2-9(11)14-7-5(8(17)15-9)12-3-13-7/h3-4H,2,11H2,1H3,(H2,10,16)(H,15,17)
InChIKeyGABTYNPWOSOBHR-UHFFFAOYSA-N
MW236.24 g/mol
LogP-1.88
Rot. Bonds3

About 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide

3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide (PubChem CID 129251337) has the molecular formula C9H12N6O2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide
PubChem CID129251337
Molecular FormulaC9H12N6O2
Molecular Weight236.24 g/mol
Exact Mass236.10
IUPAC Name3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide
SMILESCC(CC1(N)N=C2N=CN=C2C(=O)N1)C(N)=O
InChIInChI=1S/C9H12N6O2/c1-4(6(10)16)2-9(11)14-7-5(8(17)15-9)12-3-13-7/h3-4H,2,11H2,1H3,(H2,10,16)(H,15,17)
InChIKeyGABTYNPWOSOBHR-UHFFFAOYSA-N
XLogP-1.88
TPSA135.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide?
The IUPAC name of 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide (CID 129251337) is 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide?
The canonical SMILES for 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide is CC(CC1(N)N=C2N=CN=C2C(=O)N1)C(N)=O.
What is the InChIKey of 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide?
The InChIKey is GABTYNPWOSOBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-4(6(10)16)2-9(11)14-7-5(8(17)15-9)12-3-13-7/h3-4H,2,11H2,1H3,(H2,10,16)(H,15,17).
What are the key properties of 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide?
3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide has a molecular weight of 236.24 g/mol, XLogP of -1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-oxo-1H-purin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 129251337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).