N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide

C12H16F3N5O2 — CID 119708105

IUPACN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCNc1nccc(C(F)(F)F)n1)C1COCCN1
InChIInChI=1S/C12H16F3N5O2/c13-12(14,15)9-1-2-18-11(20-9)19-4-3-17-10(21)8-7-22-6-5-16-8/h1-2,8,16H,3-7H2,(H,17,21)(H,18,19,20)
InChIKeyJGDMAUURRDZELU-UHFFFAOYSA-N
MW319.29 g/mol
LogP0.01
Rot. Bonds5

About N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide

N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide (PubChem CID 119708105) has the molecular formula C12H16F3N5O2 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide
PubChem CID119708105
Molecular FormulaC12H16F3N5O2
Molecular Weight319.29 g/mol
Exact Mass319.13
IUPAC NameN-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCNc1nccc(C(F)(F)F)n1)C1COCCN1
InChIInChI=1S/C12H16F3N5O2/c13-12(14,15)9-1-2-18-11(20-9)19-4-3-17-10(21)8-7-22-6-5-16-8/h1-2,8,16H,3-7H2,(H,17,21)(H,18,19,20)
InChIKeyJGDMAUURRDZELU-UHFFFAOYSA-N
XLogP0.01
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 50.01
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

9-amino-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990410
N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-3-carboxamide
CID 82817726
N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
CID 119854546
4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 60507961
2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
CID 119708120
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]morpholine-3-carboxamide
CID 106397412
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
(2S)-2-amino-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]butanamide;hydrochloride
CID 119708124
4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119708136
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid
CID 3515621
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119721497

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide (CID 119708105) is N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide is O=C(NCCNc1nccc(C(F)(F)F)n1)C1COCCN1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide?
The InChIKey is JGDMAUURRDZELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O2/c13-12(14,15)9-1-2-18-11(20-9)19-4-3-17-10(21)8-7-22-6-5-16-8/h1-2,8,16H,3-7H2,(H,17,21)(H,18,19,20).
What are the key properties of N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide?
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119708105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).