6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C9H9F3N6S — CID 106775511

IUPAC6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NCc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N6S/c10-9(11,12)8-16-5(3-6(17-8)18-13)15-4-7-14-1-2-19-7/h1-3H,4,13H2,(H2,15,16,17,18)
InChIKeyIEJNOLRXQGSCQH-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.85
Rot. Bonds4

About 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775511) has the molecular formula C9H9F3N6S and a molecular weight of 290.27 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775511
Molecular FormulaC9H9F3N6S
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Name6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1cc(NCc2nccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N6S/c10-9(11,12)8-16-5(3-6(17-8)18-13)15-4-7-14-1-2-19-7/h1-3H,4,13H2,(H2,15,16,17,18)
InChIKeyIEJNOLRXQGSCQH-UHFFFAOYSA-N
XLogP1.85
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.85
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

2-cyclopropyl-6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80964171
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775903
6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771926
2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564512
N-ethyl-6-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769688
2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 80964799
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 114102594
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775511) is 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is NNc1cc(NCc2nccs2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IEJNOLRXQGSCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6S/c10-9(11,12)8-16-5(3-6(17-8)18-13)15-4-7-14-1-2-19-7/h1-3H,4,13H2,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 290.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).