N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C11H11ClFN5 — CID 80897397

IUPACN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFN5/c1-6-10(15-5-16-11(6)18-14)17-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyKXQSWQDJAWTVQZ-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.61
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80897397) has the molecular formula C11H11ClFN5 and a molecular weight of 267.69 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80897397
Molecular FormulaC11H11ClFN5
Molecular Weight267.69 g/mol
Exact Mass267.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFN5/c1-6-10(15-5-16-11(6)18-14)17-9-3-2-7(12)4-8(9)13/h2-5H,14H2,1H3,(H2,15,16,17,18)
InChIKeyKXQSWQDJAWTVQZ-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 ≤ 500267.69
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'}

Analyze N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995143
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 83082645
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80768561
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80906889
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897846
4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80897397) is N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(NN)ncnc1Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is KXQSWQDJAWTVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5/c1-6-10(15-5-16-11(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-5-methylpyrimidin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 267.69 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-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80897397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).