3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C7H7F4N3O — CID 164647732

IUPAC3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1cc(F)nc(F)n1
InChIInChI=1S/C7H7F4N3O/c8-4-1-5(14-6(9)13-4)12-2-7(10,11)3-15/h1,15H,2-3H2,(H,12,13,14)
InChIKeyXXDGAILTWBLBNE-UHFFFAOYSA-N
MW225.14 g/mol
LogP0.79
Rot. Bonds4

About 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 164647732) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID164647732
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1cc(F)nc(F)n1
InChIInChI=1S/C7H7F4N3O/c8-4-1-5(14-6(9)13-4)12-2-7(10,11)3-15/h1,15H,2-3H2,(H,12,13,14)
InChIKeyXXDGAILTWBLBNE-UHFFFAOYSA-N
XLogP0.79
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid
CID 589042
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179311
3-[(6-amino-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 106174489
2,2-difluoro-3-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 106179429
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
2-[(2,6-difluoropyrimidin-4-yl)amino]acetate
CID 4610584
2,2-difluoro-3-(quinolin-2-ylamino)propan-1-ol
CID 104858613
2,6-difluoro-N-prop-2-enylpyrimidin-4-amine
CID 164647775

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 164647732) is 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNc1cc(F)nc(F)n1.
What is the InChIKey of 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is XXDGAILTWBLBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c8-4-1-5(14-6(9)13-4)12-2-7(10,11)3-15/h1,15H,2-3H2,(H,12,13,14).
What are the key properties of 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 225.14 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 164647732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).