N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide

C12H12F3N7O — CID 142468337

IUPACN'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide
SMILESNN/N=C(\N)c1cncnc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N7O/c13-12(14,15)23-8-3-1-7(2-4-8)20-11-9(5-18-6-19-11)10(16)21-22-17/h1-6,22H,17H2,(H2,16,21)(H,18,19,20)
InChIKeyYVUDGNWXSBFLMT-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.20
Rot. Bonds5

About N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide

N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide (PubChem CID 142468337) has the molecular formula C12H12F3N7O and a molecular weight of 327.27 g/mol. Its IUPAC name is N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide.

Molecular Properties

Compound NameN'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide
PubChem CID142468337
Molecular FormulaC12H12F3N7O
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC NameN'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide
SMILESNN/N=C(\N)c1cncnc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H12F3N7O/c13-12(14,15)23-8-3-1-7(2-4-8)20-11-9(5-18-6-19-11)10(16)21-22-17/h1-6,22H,17H2,(H2,16,21)(H,18,19,20)
InChIKeyYVUDGNWXSBFLMT-UHFFFAOYSA-N
XLogP1.20
TPSA123.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350
2-[4-(trifluoromethoxy)anilino]pyridine-3-carbothioamide
CID 28514655
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
3-methyl-N-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7659052
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 79915945
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
5-[4-(trifluoromethoxy)anilino]pyridine-2-carbothioamide
CID 115488112
2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane
CID 142468138
4-N,4-N-dimethyl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19137031
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532
4-N-(5-methyl-2-pyridinyl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 22538256

Frequently Asked Questions

What is the IUPAC name of N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide?
The IUPAC name of N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide (CID 142468337) is N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide.
What is the SMILES notation for N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide?
The canonical SMILES for N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide is NN/N=C(\N)c1cncnc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide?
The InChIKey is YVUDGNWXSBFLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N7O/c13-12(14,15)23-8-3-1-7(2-4-8)20-11-9(5-18-6-19-11)10(16)21-22-17/h1-6,22H,17H2,(H2,16,21)(H,18,19,20).
What are the key properties of N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide?
N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide has a molecular weight of 327.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydrazinyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboximidamide is sourced from PubChem (CID 142468337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).