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

C8H9ClF3N3O — CID 82460858

IUPAC1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H9ClF3N3O/c1-4(16)3-13-6-2-5(8(10,11)12)14-7(9)15-6/h2,4,16H,3H2,1H3,(H,13,14,15)
InChIKeyNAAABBUUDQMAPI-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.94
Rot. Bonds3

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

1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 82460858) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID82460858
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H9ClF3N3O/c1-4(16)3-13-6-2-5(8(10,11)12)14-7(9)15-6/h2,4,16H,3H2,1H3,(H,13,14,15)
InChIKeyNAAABBUUDQMAPI-UHFFFAOYSA-N
XLogP1.94
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (CID 82460858) is 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is CC(O)CNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is NAAABBUUDQMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c1-4(16)3-13-6-2-5(8(10,11)12)14-7(9)15-6/h2,4,16H,3H2,1H3,(H,13,14,15).
What are the key properties of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 255.63 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 82460858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).