N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

C10H9F2N5 — CID 80927394

IUPACN-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C10H9F2N5/c11-7-2-1-6(3-8(7)12)16-9-4-10(17-13)15-5-14-9/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyAVGUVRYIXJYSIN-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.78
Rot. Bonds3

About N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80927394) has the molecular formula C10H9F2N5 and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80927394
Molecular FormulaC10H9F2N5
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC NameN-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C10H9F2N5/c11-7-2-1-6(3-8(7)12)16-9-4-10(17-13)15-5-14-9/h1-5H,13H2,(H2,14,15,16,17)
InChIKeyAVGUVRYIXJYSIN-UHFFFAOYSA-N
XLogP1.78
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.78
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

4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
N-(3,4-difluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976897
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112867113
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112858876
6-N-(3,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863564
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80930315

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 80927394) is N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2ccc(F)c(F)c2)ncn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is AVGUVRYIXJYSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5/c11-7-2-1-6(3-8(7)12)16-9-4-10(17-13)15-5-14-9/h1-5H,13H2,(H2,14,15,16,17).
What are the key properties of N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 237.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80927394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).