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

C10H14F3N5O2 — CID 114565715

IUPAC2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H14F3N5O2/c1-20-3-2-15-8(19)5-16-7-4-6(10(11,12)13)17-9(14)18-7/h4H,2-3,5H2,1H3,(H,15,19)(H3,14,16,17,18)
InChIKeyOLHMIWVQYJXTQR-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.25
Rot. Bonds6

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

2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 114565715) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide
PubChem CID114565715
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H14F3N5O2/c1-20-3-2-15-8(19)5-16-7-4-6(10(11,12)13)17-9(14)18-7/h4H,2-3,5H2,1H3,(H,15,19)(H3,14,16,17,18)
InChIKeyOLHMIWVQYJXTQR-UHFFFAOYSA-N
XLogP0.25
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide (CID 114565715) is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is OLHMIWVQYJXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-20-3-2-15-8(19)5-16-7-4-6(10(11,12)13)17-9(14)18-7/h4H,2-3,5H2,1H3,(H,15,19)(H3,14,16,17,18).
What are the key properties of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide?
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 293.25 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 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]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 114565715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).