2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide

C12H15N5O2 — CID 135423678

IUPAC2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide
SMILESCc1cnc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2n1
InChIInChI=1S/C12H15N5O2/c1-6-5-13-8-7(14-6)9(18)16-11(15-8)17-10(19)12(2,3)4/h5H,1-4H3,(H2,13,15,16,17,18,19)
InChIKeyBBEAFWSGEZRPPL-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.01
Rot. Bonds1

About 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide

2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide (PubChem CID 135423678) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide
PubChem CID135423678
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide
SMILESCc1cnc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2n1
InChIInChI=1S/C12H15N5O2/c1-6-5-13-8-7(14-6)9(18)16-11(15-8)17-10(19)12(2,3)4/h5H,1-4H3,(H2,13,15,16,17,18,19)
InChIKeyBBEAFWSGEZRPPL-UHFFFAOYSA-N
XLogP1.01
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide (CID 135423678) is 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide is Cc1cnc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2n1.
What is the InChIKey of 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide?
The InChIKey is BBEAFWSGEZRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-6-5-13-8-7(14-6)9(18)16-11(15-8)17-10(19)12(2,3)4/h5H,1-4H3,(H2,13,15,16,17,18,19).
What are the key properties of 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide?
2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide has a molecular weight of 261.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(6-methyl-4-oxo-3H-pteridin-2-yl)propanamide is sourced from PubChem (CID 135423678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).