2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol

C8H10F3N3O — CID 141126389

IUPAC2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESCC(CO)Nc1ncncc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(3-15)14-7-6(8(9,10)11)2-12-4-13-7/h2,4-5,15H,3H2,1H3,(H,12,13,14)
InChIKeyZVTCTKFALHCBQS-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.29
Rot. Bonds3

About 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol

2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 141126389) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID141126389
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESCC(CO)Nc1ncncc1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(3-15)14-7-6(8(9,10)11)2-12-4-13-7/h2,4-5,15H,3H2,1H3,(H,12,13,14)
InChIKeyZVTCTKFALHCBQS-UHFFFAOYSA-N
XLogP1.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol (CID 141126389) is 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol is CC(CO)Nc1ncncc1C(F)(F)F.
What is the InChIKey of 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is ZVTCTKFALHCBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(3-15)14-7-6(8(9,10)11)2-12-4-13-7/h2,4-5,15H,3H2,1H3,(H,12,13,14).
What are the key properties of 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 221.18 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 141126389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).