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

C11H14ClF3N4O2 — CID 106768280

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4O2/c1-6(9(20)16-3-4-21-2)17-8-5-7(12)18-10(19-8)11(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyIVHDBERUBVFNKO-UHFFFAOYSA-N
MW326.71 g/mol
LogP1.71
Rot. Bonds6

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

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 106768280) has the molecular formula C11H14ClF3N4O2 and a molecular weight of 326.71 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID106768280
Molecular FormulaC11H14ClF3N4O2
Molecular Weight326.71 g/mol
Exact Mass326.08
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N4O2/c1-6(9(20)16-3-4-21-2)17-8-5-7(12)18-10(19-8)11(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyIVHDBERUBVFNKO-UHFFFAOYSA-N
XLogP1.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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'}

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Related Compounds

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide
CID 106768277
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766912
N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 106767206
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 114766588
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
2-(2,6-dichloro-4-pyridinyl)-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 166390326
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]propanamide
CID 114255815
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide (CID 106768280) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is IVHDBERUBVFNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O2/c1-6(9(20)16-3-4-21-2)17-8-5-7(12)18-10(19-8)11(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 326.71 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106768280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).