N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

C11H11ClFN5 — CID 80897846

IUPACN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H11ClFN5/c1-6-15-10(5-11(16-6)18-14)17-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyJSHYWQZLVLPPLY-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.61
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80897846) has the molecular formula C11H11ClFN5 and a molecular weight of 267.70 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80897846
Molecular FormulaC11H11ClFN5
Molecular Weight267.70 g/mol
Exact Mass267.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H11ClFN5/c1-6-15-10(5-11(16-6)18-14)17-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyJSHYWQZLVLPPLY-UHFFFAOYSA-N
XLogP2.61
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.61
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-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80906036
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 107639608
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
N-(4-bromo-2-methylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80920057
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
N-(4-chloro-2-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 166626048

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80897846) is N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(Nc2ccc(Cl)cc2F)n1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is JSHYWQZLVLPPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5/c1-6-15-10(5-11(16-6)18-14)17-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 267.70 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80897846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).