N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

C12H12ClF2N5 — CID 83083447

IUPACN-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H12ClF2N5/c1-2-7-11(17-5-18-12(7)20-16)19-10-8(13)3-6(14)4-9(10)15/h3-5H,2,16H2,1H3,(H2,17,18,19,20)
InChIKeyXAZYFNFZPCIQMI-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.00
Rot. Bonds4

About N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine

N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 83083447) has the molecular formula C12H12ClF2N5 and a molecular weight of 299.71 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID83083447
Molecular FormulaC12H12ClF2N5
Molecular Weight299.71 g/mol
Exact Mass299.07
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H12ClF2N5/c1-2-7-11(17-5-18-12(7)20-16)19-10-8(13)3-6(14)4-9(10)15/h3-5H,2,16H2,1H3,(H2,17,18,19,20)
InChIKeyXAZYFNFZPCIQMI-UHFFFAOYSA-N
XLogP3.00
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.00
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

6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 83082645
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 83082819
N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107604941
4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 83072877
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
N-(3-chloro-2-methylphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80927392
N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103482018
5-ethyl-N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80905202

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine (CID 83083447) is N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1c(NN)ncnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is XAZYFNFZPCIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N5/c1-2-7-11(17-5-18-12(7)20-16)19-10-8(13)3-6(14)4-9(10)15/h3-5H,2,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 299.71 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 83083447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).