2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol

C10H13ClF3N3O — CID 106767475

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-6(2)17(3-4-18)8-5-7(11)15-9(16-8)10(12,13)14/h5-6,18H,3-4H2,1-2H3
InChIKeyIUJBVJKRBKUZKB-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.36
Rot. Bonds4

About 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol (PubChem CID 106767475) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol
PubChem CID106767475
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-6(2)17(3-4-18)8-5-7(11)15-9(16-8)10(12,13)14/h5-6,18H,3-4H2,1-2H3
InChIKeyIUJBVJKRBKUZKB-UHFFFAOYSA-N
XLogP2.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol (CID 106767475) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol is CC(C)N(CCO)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol?
The InChIKey is IUJBVJKRBKUZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-6(2)17(3-4-18)8-5-7(11)15-9(16-8)10(12,13)14/h5-6,18H,3-4H2,1-2H3.
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol has a molecular weight of 283.68 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 106767475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).