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'}

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

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Launch Full Analysis

Related Compounds

1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
CID 51138331
N~2~-(2-azepan-1-yl-1,1-dimethylethyl)-5-fluoro-N~4~-methylpyrimidine-2,4-diamine
CID 124214243
2-N-[(2S)-2-(dimethylamino)pentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 125523390
N~2~-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 132409671
N-{1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl}-N,N',N'-trimethylethane-1,2-diamine
CID 132421179
2-N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 164636021
2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 164641232
5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 171359425
N-(cyclopropylmethyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 55279039
2-Chloro-N-cyclopentyl-5-fluoropyrimidin-4-amine
CID 56763783
5-fluoro-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 66623874
4-N-[(2S)-butan-2-yl]-5-fluoropyrimidine-2,4-diamine
CID 66624038

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).