2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol

C7H11F2N5O — CID 106179583

IUPAC2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
SMILESNNc1cc(NCC(F)(F)CO)ncn1
InChIInChI=1S/C7H11F2N5O/c8-7(9,3-15)2-11-5-1-6(14-10)13-4-12-5/h1,4,15H,2-3,10H2,(H2,11,12,13,14)
InChIKeySYTMEOHBVFVLJM-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.20
Rot. Bonds5

About 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol

2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 106179583) has the molecular formula C7H11F2N5O and a molecular weight of 219.19 g/mol. Its IUPAC name is 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID106179583
Molecular FormulaC7H11F2N5O
Molecular Weight219.19 g/mol
Exact Mass219.09
IUPAC Name2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
SMILESNNc1cc(NCC(F)(F)CO)ncn1
InChIInChI=1S/C7H11F2N5O/c8-7(9,3-15)2-11-5-1-6(14-10)13-4-12-5/h1,4,15H,2-3,10H2,(H2,11,12,13,14)
InChIKeySYTMEOHBVFVLJM-UHFFFAOYSA-N
XLogP-0.20
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80915064
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
CID 106171831
2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
CID 104858561
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
N-(2,2-dimethylheptyl)-6-hydrazinylpyrimidin-4-amine
CID 80926441
6-hydrazinyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 80903091
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
2,2-difluoro-3-(pyrazin-2-ylamino)propan-1-ol
CID 104858515
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol (CID 106179583) is 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol is NNc1cc(NCC(F)(F)CO)ncn1.
What is the InChIKey of 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is SYTMEOHBVFVLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5O/c8-7(9,3-15)2-11-5-1-6(14-10)13-4-12-5/h1,4,15H,2-3,10H2,(H2,11,12,13,14).
What are the key properties of 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol?
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 219.19 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 106179583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).