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

C10H12F3N7 — CID 106775475

IUPAC6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NCCn2ccnc2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7/c11-10(12,13)9-17-7(5-8(18-9)19-14)16-2-4-20-3-1-15-6-20/h1,3,5-6H,2,4,14H2,(H2,16,17,18,19)
InChIKeyGBGRYFMRUXRHFW-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.09
Rot. Bonds5

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

6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775475) has the molecular formula C10H12F3N7 and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775475
Molecular FormulaC10H12F3N7
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NCCn2ccnc2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7/c11-10(12,13)9-17-7(5-8(18-9)19-14)16-2-4-20-3-1-15-6-20/h1,3,5-6H,2,4,14H2,(H2,16,17,18,19)
InChIKeyGBGRYFMRUXRHFW-UHFFFAOYSA-N
XLogP1.09
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767357
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
CID 80947963
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964166
6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775695
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
6-hydrazinyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775730
4-(2-imidazol-1-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709977
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
CID 80946117
N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106341116
N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 106775656

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775475) is 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(NCCn2ccnc2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GBGRYFMRUXRHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7/c11-10(12,13)9-17-7(5-8(18-9)19-14)16-2-4-20-3-1-15-6-20/h1,3,5-6H,2,4,14H2,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).