6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine

C10H8F3N5 — CID 80919229

IUPAC6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2cc(F)cc(F)c2F)ncn1
InChIInChI=1S/C10H8F3N5/c11-5-1-6(12)10(13)7(2-5)17-8-3-9(18-14)16-4-15-8/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyKXCDRUCNSQOMGW-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.92
Rot. Bonds3

About 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine

6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 80919229) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID80919229
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
SMILESNNc1cc(Nc2cc(F)cc(F)c2F)ncn1
InChIInChI=1S/C10H8F3N5/c11-5-1-6(12)10(13)7(2-5)17-8-3-9(18-14)16-4-15-8/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyKXCDRUCNSQOMGW-UHFFFAOYSA-N
XLogP1.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
Bisanilinopyrimidine, 6l
CID 70702141
N-(3,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263428
5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263422
5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263423
N-(3-fluorophenyl)-6-(1H-pyrazol-1-yl)-4-pyrimidinamine
CID 796100
N-[2-(4-fluoroanilino)-4-pyrimidinyl]-N-(4-fluorophenyl)amine
CID 850652
4-N-ethyl-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 44526629
N~4~-(4-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 2766305
4-N-ethyl-2-N-(4-fluorophenyl)-6-propylpyrimidine-2,4-diamine
CID 44526632
N4-phenylpyrimidine-2,4-diamine
CID 239967

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine (CID 80919229) is 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine is NNc1cc(Nc2cc(F)cc(F)c2F)ncn1.
What is the InChIKey of 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is KXCDRUCNSQOMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-5-1-6(12)10(13)7(2-5)17-8-3-9(18-14)16-4-15-8/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 255.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80919229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).