N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine

C11H12FN5 — CID 80927503

IUPACN-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(F)ccc1Nc1ccnc(NN)n1
InChIInChI=1S/C11H12FN5/c1-7-6-8(12)2-3-9(7)15-10-4-5-14-11(16-10)17-13/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyUXPUMCWDASGKBW-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.95
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine

N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80927503) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80927503
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCc1cc(F)ccc1Nc1ccnc(NN)n1
InChIInChI=1S/C11H12FN5/c1-7-6-8(12)2-3-9(7)15-10-4-5-14-11(16-10)17-13/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKeyUXPUMCWDASGKBW-UHFFFAOYSA-N
XLogP1.95
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.95
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

N-(2,4-difluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927965
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928362
N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927661
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
2-N-(4-chloro-2-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904048
6-chloro-N-(4-fluoro-2-methylphenyl)pyridin-2-amine
CID 63588779
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904246
(4-fluoro-2-methylphenyl)hydrazine;hydrochloride
CID 47002129
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80927503) is N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine is Cc1cc(F)ccc1Nc1ccnc(NN)n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is UXPUMCWDASGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-7-6-8(12)2-3-9(7)15-10-4-5-14-11(16-10)17-13/h2-6H,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine?
N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 233.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80927503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).