5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine

C13H15ClFN5 — CID 80926777

IUPAC5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(NN)ncc2Cl)cc1F
InChIInChI=1S/C13H15ClFN5/c1-7-3-4-9(5-11(7)15)8(2)18-12-10(14)6-17-13(19-12)20-16/h3-6,8H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLXAOFTFTHOBRNH-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.04
Rot. Bonds4

About 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine

5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80926777) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80926777
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(NN)ncc2Cl)cc1F
InChIInChI=1S/C13H15ClFN5/c1-7-3-4-9(5-11(7)15)8(2)18-12-10(14)6-17-13(19-12)20-16/h3-6,8H,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLXAOFTFTHOBRNH-UHFFFAOYSA-N
XLogP3.04
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80907426
5-chloro-2-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390455
5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine
CID 80913978
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329097
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80931413
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761792
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80852541

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine (CID 80926777) is 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine is Cc1ccc(C(C)Nc2nc(NN)ncc2Cl)cc1F.
What is the InChIKey of 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is LXAOFTFTHOBRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-7-3-4-9(5-11(7)15)8(2)18-12-10(14)6-17-13(19-12)20-16/h3-6,8H,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 295.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80926777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).