5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

C11H20FN5O — CID 106012916

IUPAC5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCC(C)OCCCCNc1nc(NN)ncc1F
InChIInChI=1S/C11H20FN5O/c1-8(2)18-6-4-3-5-14-10-9(12)7-15-11(16-10)17-13/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyXINHUKWRUJFXBN-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.52
Rot. Bonds8

About 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (PubChem CID 106012916) has the molecular formula C11H20FN5O and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
PubChem CID106012916
Molecular FormulaC11H20FN5O
Molecular Weight257.31 g/mol
Exact Mass257.17
IUPAC Name5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCC(C)OCCCCNc1nc(NN)ncc1F
InChIInChI=1S/C11H20FN5O/c1-8(2)18-6-4-3-5-14-10-9(12)7-15-11(16-10)17-13/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyXINHUKWRUJFXBN-UHFFFAOYSA-N
XLogP1.52
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.52
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

5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767471
2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012861
3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013715
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80914648
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914697
5-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 80915239
2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012863
N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80919063
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (CID 106012916) is 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine is CC(C)OCCCCNc1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The InChIKey is XINHUKWRUJFXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN5O/c1-8(2)18-6-4-3-5-14-10-9(12)7-15-11(16-10)17-13/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine has a molecular weight of 257.31 g/mol, XLogP of 1.52, 8 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-(4-propan-2-yloxybutyl)pyrimidin-4-amine is sourced from PubChem (CID 106012916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).