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

C12H20FN5O — CID 80930821

IUPAC1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESNNc1ncc(F)c(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C12H20FN5O/c13-9-7-15-11(18-14)17-10(9)16-8-12(19)5-3-1-2-4-6-12/h7,19H,1-6,8,14H2,(H2,15,16,17,18)
InChIKeyWOEPETCMOAZFIF-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.40
Rot. Bonds4

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

1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 80930821) has the molecular formula C12H20FN5O and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
PubChem CID80930821
Molecular FormulaC12H20FN5O
Molecular Weight269.32 g/mol
Exact Mass269.17
IUPAC Name1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESNNc1ncc(F)c(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C12H20FN5O/c13-9-7-15-11(18-14)17-10(9)16-8-12(19)5-3-1-2-4-6-12/h7,19H,1-6,8,14H2,(H2,15,16,17,18)
InChIKeyWOEPETCMOAZFIF-UHFFFAOYSA-N
XLogP1.40
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.40
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

1-((2-Chloro-5-fluoropyrimidin-4-ylamino)methyl)cyclohexanol
CID 79075802
1-({[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]amino}methyl)cyclohexanol
CID 72846043
1-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 79076102
1-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 79076203
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-4-methylcyclohexan-1-ol
CID 80825790
4-Ethyl-1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80826381
1-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80827175
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80827316
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80827812
1-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842133
1-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-4-methylcyclohexan-1-ol
CID 80842139
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842248

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (CID 80930821) is 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is NNc1ncc(F)c(NCC2(O)CCCCCC2)n1.
What is the InChIKey of 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is WOEPETCMOAZFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O/c13-9-7-15-11(18-14)17-10(9)16-8-12(19)5-3-1-2-4-6-12/h7,19H,1-6,8,14H2,(H2,15,16,17,18).
What are the key properties of 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 269.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 80930821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).