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

C12H13ClFN5 — CID 80918517

IUPACN-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H13ClFN5/c1-6-11(16-7(2)17-12(6)19-15)18-10-4-3-8(14)5-9(10)13/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyUCWBQXNDAINYHH-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.92
Rot. Bonds3

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

N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80918517) has the molecular formula C12H13ClFN5 and a molecular weight of 281.72 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80918517
Molecular FormulaC12H13ClFN5
Molecular Weight281.72 g/mol
Exact Mass281.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H13ClFN5/c1-6-11(16-7(2)17-12(6)19-15)18-10-4-3-8(14)5-9(10)13/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyUCWBQXNDAINYHH-UHFFFAOYSA-N
XLogP2.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.92
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-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80921030
N-(4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80927488
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 83082819
N-(3,4-dichlorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80926306
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006005
6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
3,5-dichloro-6-N-(2-chloro-4-fluorophenyl)pyridine-2,6-diamine
CID 102754342
ethyl 4-(2-chloro-4-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947933

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (CID 80918517) is N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(NN)c(C)c(Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is UCWBQXNDAINYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5/c1-6-11(16-7(2)17-12(6)19-15)18-10-4-3-8(14)5-9(10)13/h3-5H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 281.72 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80918517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).