[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine

C12H11F3N4 — CID 14685626

IUPAC[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-3-1-2-8(6-9)7-11-17-5-4-10(18-11)19-16/h1-6H,7,16H2,(H,17,18,19)
InChIKeyCQXUECIPUGGJKF-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.37
Rot. Bonds3

About [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine

[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine (PubChem CID 14685626) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
PubChem CID14685626
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-3-1-2-8(6-9)7-11-17-5-4-10(18-11)19-16/h1-6H,7,16H2,(H,17,18,19)
InChIKeyCQXUECIPUGGJKF-UHFFFAOYSA-N
XLogP2.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyrimidin-4-yl]hydrazine
CID 62251261
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine (CID 14685626) is [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine is NNc1ccnc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine?
The InChIKey is CQXUECIPUGGJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)9-3-1-2-8(6-9)7-11-17-5-4-10(18-11)19-16/h1-6H,7,16H2,(H,17,18,19).
What are the key properties of [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine?
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine has a molecular weight of 268.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 14685626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).