N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide

C11H13F3N4O — CID 2795995

IUPACN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-3-4-16-10(18-8)17-6-5-15-9(19)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,19)(H,16,17,18)
InChIKeyIOBAHOYHNRFHFU-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.43
Rot. Bonds5

About N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 2795995) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide
PubChem CID2795995
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC NameN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-3-4-16-10(18-8)17-6-5-15-9(19)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,19)(H,16,17,18)
InChIKeyIOBAHOYHNRFHFU-UHFFFAOYSA-N
XLogP1.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide (CID 2795995) is N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide is O=C(NCCNc1nccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is IOBAHOYHNRFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)8-3-4-16-10(18-8)17-6-5-15-9(19)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,19)(H,16,17,18).
What are the key properties of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 2795995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).