4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol

C10H16FN5O — CID 80931720

IUPAC4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H16FN5O/c11-8-5-13-10(16-12)15-9(8)14-6-1-3-7(17)4-2-6/h5-7,17H,1-4,12H2,(H2,13,14,15,16)
InChIKeyNEOMLDMGICPANU-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.62
Rot. Bonds3

About 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 80931720) has the molecular formula C10H16FN5O and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID80931720
Molecular FormulaC10H16FN5O
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Name4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1ncc(F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H16FN5O/c11-8-5-13-10(16-12)15-9(8)14-6-1-3-7(17)4-2-6/h5-7,17H,1-4,12H2,(H2,13,14,15,16)
InChIKeyNEOMLDMGICPANU-UHFFFAOYSA-N
XLogP0.62
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.62
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

4-[[2-(Butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793604
4-[[2-[(4-Hydroxycyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 75512521
4-[[2-[(4-Hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 11856531
4-[(3,3-Difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 71237627
4-[[5-Amino-4-[(3,3-difluorocyclobutyl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 71244399
(3S)-3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]cyclohexanol
CID 86667418
(1R,3S)-3-((2-chloro-5-fluoropyrimidin-4-yl)amino)cyclohexanol
CID 86667455
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 87342994
(1S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 87342995
4-[[5-Bromo-2-(2,2-difluorobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134164002
4-[[5-Bromo-2-[2-(difluoromethoxy)ethylamino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 137379948
3-[[2-(Tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167147041

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 80931720) is 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is NNc1ncc(F)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is NEOMLDMGICPANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O/c11-8-5-13-10(16-12)15-9(8)14-6-1-3-7(17)4-2-6/h5-7,17H,1-4,12H2,(H2,13,14,15,16).
What are the key properties of 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 241.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80931720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).