2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide

C11H16F3N5O2 — CID 120990408

IUPAC2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
SMILESCOCC(N)C(=O)NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O2/c1-21-6-7(15)9(20)16-4-5-18-10-17-3-2-8(19-10)11(12,13)14/h2-3,7H,4-6,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyGDAZWACXWXCFPS-UHFFFAOYSA-N
MW307.28 g/mol
LogP-0.00
Rot. Bonds7

About 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide

2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide (PubChem CID 120990408) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
PubChem CID120990408
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
SMILESCOCC(N)C(=O)NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O2/c1-21-6-7(15)9(20)16-4-5-18-10-17-3-2-8(19-10)11(12,13)14/h2-3,7H,4-6,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyGDAZWACXWXCFPS-UHFFFAOYSA-N
XLogP-0.00
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 5-0.00
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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Related Compounds

3-ethoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 72006787
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 2795995
N-(1-(4-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)acetamide
CID 49431027
2-(methylamino)-N-((2-methylpyrimidin-4-yl)methyl)propanamide; trifluoroacetic acid
CID 165896858
2-((4-methylpyrimidin-2-yl)oxy)-N-(2-morpholinoethyl)acetamide
CID 52417047
N-(2-(((2-(dimethylamino)pyrimidin-4-yl)methyl)amino)-2-oxoethyl)butyramide
CID 73168076
N-((2-(dimethylamino)pyrimidin-4-yl)methyl)isobutyramide
CID 76148004
3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide
CID 25239828
N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 31536708
3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]azepan-2-one
CID 47463922
N-isopropyl-2-((4-methylpyrimidin-2-yl)oxy)acetamide
CID 52907246

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide (CID 120990408) is 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide is COCC(N)C(=O)NCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide?
The InChIKey is GDAZWACXWXCFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-21-6-7(15)9(20)16-4-5-18-10-17-3-2-8(19-10)11(12,13)14/h2-3,7H,4-6,15H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide?
2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide has a molecular weight of 307.28 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide is sourced from PubChem (CID 120990408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).