2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol

C8H10BrF2N3O — CID 176900731

IUPAC2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESCC(CO)Nc1ncnc(C(F)F)c1Br
InChIInChI=1S/C8H10BrF2N3O/c1-4(2-15)14-8-5(9)6(7(10)11)12-3-13-8/h3-4,7,15H,2H2,1H3,(H,12,13,14)
InChIKeyKYJJDECHZINJAE-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.97
Rot. Bonds4

About 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol

2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 176900731) has the molecular formula C8H10BrF2N3O and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID176900731
Molecular FormulaC8H10BrF2N3O
Molecular Weight282.09 g/mol
Exact Mass281.00
IUPAC Name2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESCC(CO)Nc1ncnc(C(F)F)c1Br
InChIInChI=1S/C8H10BrF2N3O/c1-4(2-15)14-8-5(9)6(7(10)11)12-3-13-8/h3-4,7,15H,2H2,1H3,(H,12,13,14)
InChIKeyKYJJDECHZINJAE-UHFFFAOYSA-N
XLogP1.97
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-[(5-bromo-2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 138020226
5-fluoro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549378
(2S)-1-[[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 162513921
1-[[5-Chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 175179778
(2R)-2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176273264
5-bromo-N-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66306078
5-bromo-6-methyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66307279
5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964335
5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964420
5-bromo-6-(difluoromethyl)-N-methylpyrimidin-4-amine
CID 99983197
5-Bromo-6-(difluoromethyl)-N-isopropylpyrimidin-4-amine
CID 99983201
5-bromo-6-(difluoromethyl)-N-ethylpyrimidin-4-amine
CID 99983206

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol (CID 176900731) is 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol is CC(CO)Nc1ncnc(C(F)F)c1Br.
What is the InChIKey of 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is KYJJDECHZINJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3O/c1-4(2-15)14-8-5(9)6(7(10)11)12-3-13-8/h3-4,7,15H,2H2,1H3,(H,12,13,14).
What are the key properties of 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 282.09 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 176900731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).