N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C11H18FN5 — CID 80929537

IUPACN-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCC1(C)CCCC1Nc1nc(NN)ncc1F
InChIInChI=1S/C11H18FN5/c1-11(2)5-3-4-8(11)15-9-7(12)6-14-10(16-9)17-13/h6,8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyLQBLYZMRAXGTKO-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.89
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80929537) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80929537
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC NameN-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCC1(C)CCCC1Nc1nc(NN)ncc1F
InChIInChI=1S/C11H18FN5/c1-11(2)5-3-4-8(11)15-9-7(12)6-14-10(16-9)17-13/h6,8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyLQBLYZMRAXGTKO-UHFFFAOYSA-N
XLogP1.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-N-(2,2-dimethylcyclohexyl)-5-fluoropyrimidine-2,4-diamine
CID 80849472
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
2-N-(2,2-dimethylcyclopentyl)pyrimidine-2,5-diamine
CID 79861067
4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80931720
N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80915739
N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929757
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257
5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine
CID 80926794
N-(2,2-dimethylcyclopentyl)-3-methylpyrazin-2-amine
CID 83064774
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-2,2-dimethylcyclohexyl]-5-fluoropyrimidin-4-amine
CID 138646725
5-bromo-N-(2,2-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
CID 106997842

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80929537) is N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is CC1(C)CCCC1Nc1nc(NN)ncc1F.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is LQBLYZMRAXGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-11(2)5-3-4-8(11)15-9-7(12)6-14-10(16-9)17-13/h6,8H,3-5,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 239.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80929537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).