2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide

C11H16F3N5O2 — CID 114564577

IUPAC2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H16F3N5O2/c1-19(6-9(20)16-3-4-21-2)8-5-7(11(12,13)14)17-10(15)18-8/h5H,3-4,6H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyVDKXPOQUNRGNKQ-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.28
Rot. Bonds6

About 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 114564577) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID114564577
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H16F3N5O2/c1-19(6-9(20)16-3-4-21-2)8-5-7(11(12,13)14)17-10(15)18-8/h5H,3-4,6H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyVDKXPOQUNRGNKQ-UHFFFAOYSA-N
XLogP0.28
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)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-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 114564577) is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VDKXPOQUNRGNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-19(6-9(20)16-3-4-21-2)8-5-7(11(12,13)14)17-10(15)18-8/h5H,3-4,6H2,1-2H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 307.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114564577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).