2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

C12H15ClF3N3O — CID 102633801

IUPAC2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(C(F)(F)F)nc(Cl)n1)C1CCCCC1O
InChIInChI=1S/C12H15ClF3N3O/c1-19(7-4-2-3-5-8(7)20)10-6-9(12(14,15)16)17-11(13)18-10/h6-8,20H,2-5H2,1H3
InChIKeyBROJXZWSXRWCJC-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.89
Rot. Bonds2

About 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol

2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102633801) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
PubChem CID102633801
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(C(F)(F)F)nc(Cl)n1)C1CCCCC1O
InChIInChI=1S/C12H15ClF3N3O/c1-19(7-4-2-3-5-8(7)20)10-6-9(12(14,15)16)17-11(13)18-10/h6-8,20H,2-5H2,1H3
InChIKeyBROJXZWSXRWCJC-UHFFFAOYSA-N
XLogP2.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol (CID 102633801) is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is CN(c1cc(C(F)(F)F)nc(Cl)n1)C1CCCCC1O.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is BROJXZWSXRWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-19(7-4-2-3-5-8(7)20)10-6-9(12(14,15)16)17-11(13)18-10/h6-8,20H,2-5H2,1H3.
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol?
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 309.72 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102633801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).