N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine

C11H18FN5 — CID 80907560

IUPACN-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCN(c1nc(NN)ncc1F)C1CCCC1
InChIInChI=1S/C11H18FN5/c1-2-17(8-5-3-4-6-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyBACADJQKPWIKSB-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.67
Rot. Bonds4

About N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80907560) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80907560
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC NameN-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCN(c1nc(NN)ncc1F)C1CCCC1
InChIInChI=1S/C11H18FN5/c1-2-17(8-5-3-4-6-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyBACADJQKPWIKSB-UHFFFAOYSA-N
XLogP1.67
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
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

2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
N-cyclopentyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80906590
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640251
N-cyclopentyl-N-ethyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332300
2-[ethyl-(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80898789
N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914834
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80927595
N-cyclohexyl-4-ethoxy-N-ethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80927598
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80921680
N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80907560) is N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine is CCN(c1nc(NN)ncc1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is BACADJQKPWIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-2-17(8-5-3-4-6-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 239.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80907560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).