6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H13F3N6 — CID 106775355

IUPAC6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(NN)nc(C(F)(F)F)n1)c1ccccn1
InChIInChI=1S/C12H13F3N6/c1-7(8-4-2-3-5-17-8)18-9-6-10(21-16)20-11(19-9)12(13,14)15/h2-7H,16H2,1H3,(H2,18,19,20,21)
InChIKeyWAWNGYOJUOXSQA-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.35
Rot. Bonds4

About 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775355) has the molecular formula C12H13F3N6 and a molecular weight of 298.27 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775355
Molecular FormulaC12H13F3N6
Molecular Weight298.27 g/mol
Exact Mass298.12
IUPAC Name6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(NN)nc(C(F)(F)F)n1)c1ccccn1
InChIInChI=1S/C12H13F3N6/c1-7(8-4-2-3-5-17-8)18-9-6-10(21-16)20-11(19-9)12(13,14)15/h2-7H,16H2,1H3,(H2,18,19,20,21)
InChIKeyWAWNGYOJUOXSQA-UHFFFAOYSA-N
XLogP2.35
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyrazin-2-amine
CID 80906571
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
5-methyl-2-N-(1-pyridin-2-ylethyl)pyridine-2,4-diamine
CID 83266097
6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 112724557
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163726
6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80953116
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775355) is 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(Nc1cc(NN)nc(C(F)(F)F)n1)c1ccccn1.
What is the InChIKey of 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WAWNGYOJUOXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6/c1-7(8-4-2-3-5-17-8)18-9-6-10(21-16)20-11(19-9)12(13,14)15/h2-7H,16H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 298.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).