2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol

C10H13ClF3N3O2 — CID 106311254

IUPAC2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
SMILESOCCOCCCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O2/c11-7-6-8(15-2-1-4-19-5-3-18)17-9(16-7)10(12,13)14/h6,18H,1-5H2,(H,15,16,17)
InChIKeyNZGRKVXRKMRALE-UHFFFAOYSA-N
MW299.68 g/mol
LogP1.96
Rot. Bonds7

About 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol

2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol (PubChem CID 106311254) has the molecular formula C10H13ClF3N3O2 and a molecular weight of 299.68 g/mol. Its IUPAC name is 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
PubChem CID106311254
Molecular FormulaC10H13ClF3N3O2
Molecular Weight299.68 g/mol
Exact Mass299.06
IUPAC Name2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
SMILESOCCOCCCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O2/c11-7-6-8(15-2-1-4-19-5-3-18)17-9(16-7)10(12,13)14/h6,18H,1-5H2,(H,15,16,17)
InChIKeyNZGRKVXRKMRALE-UHFFFAOYSA-N
XLogP1.96
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 51.96
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

5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767839
ethyl 4-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 106767911
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106767627
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 106767206
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106196425
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol (CID 106311254) is 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol is OCCOCCCNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol?
The InChIKey is NZGRKVXRKMRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O2/c11-7-6-8(15-2-1-4-19-5-3-18)17-9(16-7)10(12,13)14/h6,18H,1-5H2,(H,15,16,17).
What are the key properties of 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol?
2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol has a molecular weight of 299.68 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol is sourced from PubChem (CID 106311254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).