2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide

C10H11N5O2 — CID 135849945

IUPAC2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c1-5(2)8(16)14-10-13-7-6(9(17)15-10)11-3-4-12-7/h3-5H,1-2H3,(H2,12,13,14,15,16,17)
InChIKeyDZMAEFPKWRJQHY-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.31
Rot. Bonds2

About 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide

2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide (PubChem CID 135849945) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide
PubChem CID135849945
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c1-5(2)8(16)14-10-13-7-6(9(17)15-10)11-3-4-12-7/h3-5H,1-2H3,(H2,12,13,14,15,16,17)
InChIKeyDZMAEFPKWRJQHY-UHFFFAOYSA-N
XLogP0.31
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide (CID 135849945) is 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide is CC(C)C(=O)Nc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide?
The InChIKey is DZMAEFPKWRJQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-5(2)8(16)14-10-13-7-6(9(17)15-10)11-3-4-12-7/h3-5H,1-2H3,(H2,12,13,14,15,16,17).
What are the key properties of 2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide?
2-methyl-N-(4-oxo-3H-pteridin-2-yl)propanamide has a molecular weight of 233.23 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-(4-oxo-3H-pteridin-2-yl)propanamide is sourced from PubChem (CID 135849945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).