2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol

C8H13F2N5O — CID 106179589

IUPAC2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cnc(NN)nc1NCC(F)(F)CO
InChIInChI=1S/C8H13F2N5O/c1-5-2-12-7(15-11)14-6(5)13-3-8(9,10)4-16/h2,16H,3-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyKNEHXGYHVKALJL-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.11
Rot. Bonds5

About 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol

2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 106179589) has the molecular formula C8H13F2N5O and a molecular weight of 233.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID106179589
Molecular FormulaC8H13F2N5O
Molecular Weight233.22 g/mol
Exact Mass233.11
IUPAC Name2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cnc(NN)nc1NCC(F)(F)CO
InChIInChI=1S/C8H13F2N5O/c1-5-2-12-7(15-11)14-6(5)13-3-8(9,10)4-16/h2,16H,3-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyKNEHXGYHVKALJL-UHFFFAOYSA-N
XLogP0.11
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.11
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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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol (CID 106179589) is 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol is Cc1cnc(NN)nc1NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is KNEHXGYHVKALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N5O/c1-5-2-12-7(15-11)14-6(5)13-3-8(9,10)4-16/h2,16H,3-4,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
2,2-difluoro-3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 233.22 g/mol, XLogP of 0.11, 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-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 106179589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).