N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

C12H21FN6 — CID 80914834

IUPACN'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc(NN)ncc1F)C1CCCC1
InChIInChI=1S/C12H21FN6/c1-19(9-4-2-3-5-9)7-6-15-11-10(13)8-16-12(17-11)18-14/h8-9H,2-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyZYPDNUXBJFBPOX-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.19
Rot. Bonds6

About N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 80914834) has the molecular formula C12H21FN6 and a molecular weight of 268.34 g/mol. Its IUPAC name is N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID80914834
Molecular FormulaC12H21FN6
Molecular Weight268.34 g/mol
Exact Mass268.18
IUPAC NameN'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc(NN)ncc1F)C1CCCC1
InChIInChI=1S/C12H21FN6/c1-19(9-4-2-3-5-9)7-6-15-11-10(13)8-16-12(17-11)18-14/h8-9H,2-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyZYPDNUXBJFBPOX-UHFFFAOYSA-N
XLogP1.19
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
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 N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 80914834) is N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is CN(CCNc1nc(NN)ncc1F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is ZYPDNUXBJFBPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN6/c1-19(9-4-2-3-5-9)7-6-15-11-10(13)8-16-12(17-11)18-14/h8-9H,2-7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 268.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80914834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).