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

C12H14FN5 — CID 80908609

IUPACN-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1N(C)c1ccc(F)cc1
InChIInChI=1S/C12H14FN5/c1-8-11(17-14)15-7-16-12(8)18(2)10-5-3-9(13)4-6-10/h3-7H,14H2,1-2H3,(H,15,16,17)
InChIKeyJPSUIWWZXOBCRQ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.98
Rot. Bonds3

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

N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80908609) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80908609
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC NameN-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1N(C)c1ccc(F)cc1
InChIInChI=1S/C12H14FN5/c1-8-11(17-14)15-7-16-12(8)18(2)10-5-3-9(13)4-6-10/h3-7H,14H2,1-2H3,(H,15,16,17)
InChIKeyJPSUIWWZXOBCRQ-UHFFFAOYSA-N
XLogP1.98
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
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-(4-fluorophenyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80908843
4-N,6-N,5-trimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80817833
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80815897
4-N-(4-ethylphenyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80817574
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144474
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
6-hydrazinyl-N,5-dimethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80905747
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80818099
6-hydrazinyl-N-(3-methoxypropyl)-N,5-dimethylpyrimidin-4-amine
CID 80913732
6-hydrazinyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 80927908
6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80816769

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine (CID 80908609) is N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine is Cc1c(NN)ncnc1N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is JPSUIWWZXOBCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-8-11(17-14)15-7-16-12(8)18(2)10-5-3-9(13)4-6-10/h3-7H,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine?
N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 247.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80908609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).