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

C10H7F3N6O2 — CID 80904013

IUPAC6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
SMILESNNc1ncnc(Nc2cc(F)cc(F)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H7F3N6O2/c11-4-1-5(12)7(13)6(2-4)17-9-8(19(20)21)10(18-14)16-3-15-9/h1-3H,14H2,(H2,15,16,17,18)
InChIKeyXPKDAJNSQWTTRH-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.83
Rot. Bonds4

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

6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 80904013) has the molecular formula C10H7F3N6O2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID80904013
Molecular FormulaC10H7F3N6O2
Molecular Weight300.20 g/mol
Exact Mass300.06
IUPAC Name6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
SMILESNNc1ncnc(Nc2cc(F)cc(F)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C10H7F3N6O2/c11-4-1-5(12)7(13)6(2-4)17-9-8(19(20)21)10(18-14)16-3-15-9/h1-3H,14H2,(H2,15,16,17,18)
InChIKeyXPKDAJNSQWTTRH-UHFFFAOYSA-N
XLogP1.83
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80930163
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107581042
N-(3,5-dichlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 23483587
N-(5-bromo-2-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898951
nitric acid;(2,3,5-trifluorophenyl)hydrazine
CID 138620101
N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80907475
4-N-(2,5-difluorophenyl)-6-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23479539
4-N-(2,4-difluorophenyl)-6-N-(2,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22525671
6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80919229
6-N-(4-bromophenyl)-4-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533130
4-N-(2,5-dichlorophenyl)-6-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530862
6-N-(4-bromophenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533129

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine (CID 80904013) is 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine is NNc1ncnc(Nc2cc(F)cc(F)c2F)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is XPKDAJNSQWTTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6O2/c11-4-1-5(12)7(13)6(2-4)17-9-8(19(20)21)10(18-14)16-3-15-9/h1-3H,14H2,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine?
6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 300.20 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-nitro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80904013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).