N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C10H8Cl2FN5 — CID 80927122

IUPACN-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H8Cl2FN5/c11-5-1-6(12)3-7(2-5)16-9-8(13)4-15-10(17-9)18-14/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyJFWUCDFOMPYBAG-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.95
Rot. Bonds3

About N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80927122) has the molecular formula C10H8Cl2FN5 and a molecular weight of 288.11 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80927122
Molecular FormulaC10H8Cl2FN5
Molecular Weight288.11 g/mol
Exact Mass287.01
IUPAC NameN-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H8Cl2FN5/c11-5-1-6(12)3-7(2-5)16-9-8(13)4-15-10(17-9)18-14/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyJFWUCDFOMPYBAG-UHFFFAOYSA-N
XLogP2.95
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.95
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'}

Analyze N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-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-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935
N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80926308
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80911429
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048
2-N,4-N-bis(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine;4,6-dichloro-5-fluoropyrimidine
CID 162195368
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83026990
4-N-(4-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80761361
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
6-[[2-(3,5-dichloroanilino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 66555895

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80927122) is N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is NNc1ncc(F)c(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is JFWUCDFOMPYBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN5/c11-5-1-6(12)3-7(2-5)16-9-8(13)4-15-10(17-9)18-14/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 288.11 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80927122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).