N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine

C11H19FN6 — CID 80944062

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(NN)ncc1F
InChIInChI=1S/C11H19FN6/c1-2-18-5-3-4-8(18)6-14-10-9(12)7-15-11(16-10)17-13/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyPVCZMJJOJLFXHI-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.80
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80944062) has the molecular formula C11H19FN6 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80944062
Molecular FormulaC11H19FN6
Molecular Weight254.31 g/mol
Exact Mass254.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCN1CCCC1CNc1nc(NN)ncc1F
InChIInChI=1S/C11H19FN6/c1-2-18-5-3-4-8(18)6-14-10-9(12)7-15-11(16-10)17-13/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyPVCZMJJOJLFXHI-UHFFFAOYSA-N
XLogP0.80
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80944201
5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026101
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914697
5-chloro-4-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71611355
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80944375
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
3,5-difluoro-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026111

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80944062) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine is CCN1CCCC1CNc1nc(NN)ncc1F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is PVCZMJJOJLFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN6/c1-2-18-5-3-4-8(18)6-14-10-9(12)7-15-11(16-10)17-13/h7-8H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 254.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80944062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).