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

C12H13F2N5 — CID 80921030

IUPACN-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C12H13F2N5/c1-6-11(16-7(2)17-12(6)19-15)18-10-5-8(13)3-4-9(10)14/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyCOQFVLTTYFEVSS-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.40
Rot. Bonds3

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

N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80921030) has the molecular formula C12H13F2N5 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80921030
Molecular FormulaC12H13F2N5
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(Nc2cc(F)ccc2F)n1
InChIInChI=1S/C12H13F2N5/c1-6-11(16-7(2)17-12(6)19-15)18-10-5-8(13)3-4-9(10)14/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyCOQFVLTTYFEVSS-UHFFFAOYSA-N
XLogP2.40
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.40
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-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
N-(4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80927488
N-(2,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80920659
N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80994887
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107639591
N-(2,4-dimethylphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80928326
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 83082819
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
4-(2,5-difluoroanilino)-2-methylpyrimidine-5-carbonitrile
CID 112755031

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine (CID 80921030) is N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(NN)c(C)c(Nc2cc(F)ccc2F)n1.
What is the InChIKey of N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is COQFVLTTYFEVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5/c1-6-11(16-7(2)17-12(6)19-15)18-10-5-8(13)3-4-9(10)14/h3-5H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine?
N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 265.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80921030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).