3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide

C11H14ClF3N4O2 — CID 114562871

IUPAC3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H14ClF3N4O2/c1-21-5-4-17-9(20)2-3-16-8-6-7(11(13,14)15)18-10(12)19-8/h6H,2-5H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyBLHUBEXUUHASMV-UHFFFAOYSA-N
MW326.71 g/mol
LogP1.71
Rot. Bonds7

About 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide

3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 114562871) has the molecular formula C11H14ClF3N4O2 and a molecular weight of 326.71 g/mol. Its IUPAC name is 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID114562871
Molecular FormulaC11H14ClF3N4O2
Molecular Weight326.71 g/mol
Exact Mass326.08
IUPAC Name3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H14ClF3N4O2/c1-21-5-4-17-9(20)2-3-16-8-6-7(11(13,14)15)18-10(12)19-8/h6H,2-5H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyBLHUBEXUUHASMV-UHFFFAOYSA-N
XLogP1.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485
2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114131009
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide
CID 114562271
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114476137
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 102716159
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide (CID 114562871) is 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is BLHUBEXUUHASMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2/c1-21-5-4-17-9(20)2-3-16-8-6-7(11(13,14)15)18-10(12)19-8/h6H,2-5H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 326.71 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114562871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).