N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H17F3N4O — CID 72869990

IUPACN-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-17-4-2-10(18-11)16-3-1-5-19-6-8-20-9-7-19/h2,4H,1,3,5-9H2,(H,16,17,18)
InChIKeyDPRUEMRKSBOFBZ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.63
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 72869990) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID72869990
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-17-4-2-10(18-11)16-3-1-5-19-6-8-20-9-7-19/h2,4H,1,3,5-9H2,(H,16,17,18)
InChIKeyDPRUEMRKSBOFBZ-UHFFFAOYSA-N
XLogP1.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 72869990) is N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nccc(NCCCN2CCOCC2)n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DPRUEMRKSBOFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)11-17-4-2-10(18-11)16-3-1-5-19-6-8-20-9-7-19/h2,4H,1,3,5-9H2,(H,16,17,18).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 290.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 72869990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).