2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide

C9H16N4O — CID 121328448

IUPAC2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide
SMILESCC1=CC(C)=NCN1CNCC(N)=O
InChIInChI=1S/C9H16N4O/c1-7-3-8(2)13(6-12-7)5-11-4-9(10)14/h3,11H,4-6H2,1-2H3,(H2,10,14)
InChIKeyIOEHMJZBRFYZLK-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.34
Rot. Bonds4

About 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide

2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide (PubChem CID 121328448) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide
PubChem CID121328448
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide
SMILESCC1=CC(C)=NCN1CNCC(N)=O
InChIInChI=1S/C9H16N4O/c1-7-3-8(2)13(6-12-7)5-11-4-9(10)14/h3,11H,4-6H2,1-2H3,(H2,10,14)
InChIKeyIOEHMJZBRFYZLK-UHFFFAOYSA-N
XLogP-0.34
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide 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-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide?
The IUPAC name of 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide (CID 121328448) is 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide?
The canonical SMILES for 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide is CC1=CC(C)=NCN1CNCC(N)=O.
What is the InChIKey of 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide?
The InChIKey is IOEHMJZBRFYZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-3-8(2)13(6-12-7)5-11-4-9(10)14/h3,11H,4-6H2,1-2H3,(H2,10,14).
What are the key properties of 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide?
2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide is sourced from PubChem (CID 121328448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).