5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C11H19FN6 — CID 80914697

IUPAC5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESNNc1ncc(F)c(NCCCN2CCCC2)n1
InChIInChI=1S/C11H19FN6/c12-9-8-15-11(17-13)16-10(9)14-4-3-7-18-5-1-2-6-18/h8H,1-7,13H2,(H2,14,15,16,17)
InChIKeyNGLIGAQEKXMGDO-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.80
Rot. Bonds6

About 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 80914697) has the molecular formula C11H19FN6 and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID80914697
Molecular FormulaC11H19FN6
Molecular Weight254.31 g/mol
Exact Mass254.17
IUPAC Name5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESNNc1ncc(F)c(NCCCN2CCCC2)n1
InChIInChI=1S/C11H19FN6/c12-9-8-15-11(17-13)16-10(9)14-4-3-7-18-5-1-2-6-18/h8H,1-7,13H2,(H2,14,15,16,17)
InChIKeyNGLIGAQEKXMGDO-UHFFFAOYSA-N
XLogP0.80
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine
CID 159786969
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80914648
N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80919063
2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831891
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767471
N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914834
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226856
5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914824

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 80914697) is 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is NNc1ncc(F)c(NCCCN2CCCC2)n1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is NGLIGAQEKXMGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN6/c12-9-8-15-11(17-13)16-10(9)14-4-3-7-18-5-1-2-6-18/h8H,1-7,13H2,(H2,14,15,16,17).
What are the key properties of 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 254.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80914697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).