5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol

C10H13ClF3N3O — CID 107318321

IUPAC5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
SMILESOCCCCCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c11-7-6-8(15-4-2-1-3-5-18)17-9(16-7)10(12,13)14/h6,18H,1-5H2,(H,15,16,17)
InChIKeyNVGLJOHBIXETKK-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.72
Rot. Bonds6

About 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol

5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 107318321) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID107318321
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
SMILESOCCCCCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c11-7-6-8(15-4-2-1-3-5-18)17-9(16-7)10(12,13)14/h6,18H,1-5H2,(H,15,16,17)
InChIKeyNVGLJOHBIXETKK-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.72
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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Related Compounds

4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311254
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106767627
N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 106767206
ethyl 4-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 106767911
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
6-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106196425
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol (CID 107318321) is 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol is OCCCCCNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is NVGLJOHBIXETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c11-7-6-8(15-4-2-1-3-5-18)17-9(16-7)10(12,13)14/h6,18H,1-5H2,(H,15,16,17).
What are the key properties of 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 283.68 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 107318321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).